[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide

C160H169F6N16O23S+ — CID 162224453

IUPAC[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3c(CO)ccc[n+]3O)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3c[n+]([O-])ccc3CO)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3cnccc3CO)cnc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)CS)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@H](C)N)ccc2OCC2CC2)cc1F
InChIInChI=1S/C30H34FN3O4.C28H30FN3O4S.C28H30FN3O4.2C25H25FN2O4.C24H24FN3O3/c1-18(2)27(32)30(36)38-17-23-5-4-12-33-28(23)22-10-11-26(37-16-20-8-9-20)24(14-22)29(35)34-15-21-7-6-19(3)25(31)13-21;1-17-4-5-19(11-23(17)29)13-32-27(33)22-12-20(8-9-25(22)35-14-18-6-7-18)26-21(3-2-10-31-26)15-36-28(34)24(30)16-37;1-17-5-6-20(12-24(17)29)14-32-27(33)23-13-21(9-10-25(23)35-15-19-7-8-19)26-22(4-3-11-31-26)16-36-28(34)18(2)30;1-16-2-3-18(10-23(16)26)12-27-25(30)21-11-19(6-7-24(21)32-15-17-4-5-17)22-13-28(31)9-8-20(22)14-29;1-16-4-5-18(11-22(16)26)13-27-25(30)21-12-19(8-9-23(21)32-15-17-6-7-17)24-20(14-29)3-2-10-28(24)31;1-15-2-3-17(8-22(15)25)10-27-23(30)20-9-19(21-12-26-7-6-18(21)13-29)11-28-24(20)31-14-16-4-5-16/h4-7,10-14,18,20,27H,8-9,15-17,32H2,1-3H3,(H,34,35);2-5,8-12,18,24,37H,6-7,13-16,30H2,1H3,(H,32,33);3-6,9-13,18-19H,7-8,14-16,30H2,1-2H3,(H,32,33);2-3,6-11,13,17,29H,4-5,12,14-15H2,1H3,(H,27,30);2-5,8-12,17,29H,6-7,13-15H2,1H3,(H-,27,30,31);2-3,6-9,11-12,16,29H,4-5,10,13-14H2,1H3,(H,27,30)/p+1/t27-;24-;18-;;;/m000.../s1
InChIKeyZUOHATFNFWJVEG-JQEHJLKPSA-O
MW2830.26 g/mol
LogP24.45
Rot. Bonds56

About [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide

[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 162224453) has the molecular formula C160H169F6N16O23S+ and a molecular weight of 2830.26 g/mol. Its IUPAC name is [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID162224453
Molecular FormulaC160H169F6N16O23S+
Molecular Weight2830.26 g/mol
Exact Mass2828.22
IUPAC Name[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3c(CO)ccc[n+]3O)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3c[n+]([O-])ccc3CO)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3cnccc3CO)cnc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)CS)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@H](C)N)ccc2OCC2CC2)cc1F
InChIInChI=1S/C30H34FN3O4.C28H30FN3O4S.C28H30FN3O4.2C25H25FN2O4.C24H24FN3O3/c1-18(2)27(32)30(36)38-17-23-5-4-12-33-28(23)22-10-11-26(37-16-20-8-9-20)24(14-22)29(35)34-15-21-7-6-19(3)25(31)13-21;1-17-4-5-19(11-23(17)29)13-32-27(33)22-12-20(8-9-25(22)35-14-18-6-7-18)26-21(3-2-10-31-26)15-36-28(34)24(30)16-37;1-17-5-6-20(12-24(17)29)14-32-27(33)23-13-21(9-10-25(23)35-15-19-7-8-19)26-22(4-3-11-31-26)16-36-28(34)18(2)30;1-16-2-3-18(10-23(16)26)12-27-25(30)21-11-19(6-7-24(21)32-15-17-4-5-17)22-13-28(31)9-8-20(22)14-29;1-16-4-5-18(11-22(16)26)13-27-25(30)21-12-19(8-9-23(21)32-15-17-6-7-17)24-20(14-29)3-2-10-28(24)31;1-15-2-3-17(8-22(15)25)10-27-23(30)20-9-19(21-12-26-7-6-18(21)13-29)11-28-24(20)31-14-16-4-5-16/h4-7,10-14,18,20,27H,8-9,15-17,32H2,1-3H3,(H,34,35);2-5,8-12,18,24,37H,6-7,13-16,30H2,1H3,(H,32,33);3-6,9-13,18-19H,7-8,14-16,30H2,1-2H3,(H,32,33);2-3,6-11,13,17,29H,4-5,12,14-15H2,1H3,(H,27,30);2-5,8-12,17,29H,6-7,13-15H2,1H3,(H-,27,30,31);2-3,6-9,11-12,16,29H,4-5,10,13-14H2,1H3,(H,27,30)/p+1/t27-;24-;18-;;;/m000.../s1
InChIKeyZUOHATFNFWJVEG-JQEHJLKPSA-O
XLogP24.45
TPSA563.13 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds56
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002830.26
LogP ≤ 524.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide (CID 162224453) is [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3c(CO)ccc[n+]3O)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3c[n+]([O-])ccc3CO)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3cnccc3CO)cnc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)CS)ccc2OCC2CC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@H](C)N)ccc2OCC2CC2)cc1F.
What is the InChIKey of [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is ZUOHATFNFWJVEG-JQEHJLKPSA-O. The full InChI is InChI=1S/C30H34FN3O4.C28H30FN3O4S.C28H30FN3O4.2C25H25FN2O4.C24H24FN3O3/c1-18(2)27(32)30(36)38-17-23-5-4-12-33-28(23)22-10-11-26(37-16-20-8-9-20)24(14-22)29(35)34-15-21-7-6-19(3)25(31)13-21;1-17-4-5-19(11-23(17)29)13-32-27(33)22-12-20(8-9-25(22)35-14-18-6-7-18)26-21(3-2-10-31-26)15-36-28(34)24(30)16-37;1-17-5-6-20(12-24(17)29)14-32-27(33)23-13-21(9-10-25(23)35-15-19-7-8-19)26-22(4-3-11-31-26)16-36-28(34)18(2)30;1-16-2-3-18(10-23(16)26)12-27-25(30)21-11-19(6-7-24(21)32-15-17-4-5-17)22-13-28(31)9-8-20(22)14-29;1-16-4-5-18(11-22(16)26)13-27-25(30)21-12-19(8-9-23(21)32-15-17-6-7-17)24-20(14-29)3-2-10-28(24)31;1-15-2-3-17(8-22(15)25)10-27-23(30)20-9-19(21-12-26-7-6-18(21)13-29)11-28-24(20)31-14-16-4-5-16/h4-7,10-14,18,20,27H,8-9,15-17,32H2,1-3H3,(H,34,35);2-5,8-12,18,24,37H,6-7,13-16,30H2,1H3,(H,32,33);3-6,9-13,18-19H,7-8,14-16,30H2,1-2H3,(H,32,33);2-3,6-11,13,17,29H,4-5,12,14-15H2,1H3,(H,27,30);2-5,8-12,17,29H,6-7,13-15H2,1H3,(H-,27,30,31);2-3,6-9,11-12,16,29H,4-5,10,13-14H2,1H3,(H,27,30)/p+1/t27-;24-;18-;;;/m000.../s1.
What are the key properties of [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 2830.26 g/mol, XLogP of 24.45, 56 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-aminopropanoate;[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-sulfanylpropanoate;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[1-hydroxy-3-(hydroxymethyl)pyridin-1-ium-2-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide;2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 162224453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).