2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine

C98H134ClF3N14O21 — CID 158479223

IUPAC2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)O)c1.CNCCN1CCOCC1.COC(=O)c1cccc(C(=O)Cl)c1.COC(=O)c1cccc(C(=O)N(C)CCN2CCOCC2)c1.COC(=O)c1cccc(C(=O)O)c1.NCCN1CCOCC1.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C25H25F3N4O.C16H22N2O4.C15H20N2O4.C11H22N2O3.C9H7ClO3.C9H8O4.C7H16N2O.C6H14N2O/c26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32;1-17(6-7-18-8-10-22-11-9-18)15(19)13-4-3-5-14(12-13)16(20)21-2;1-16(5-6-17-7-9-21-10-8-17)14(18)12-3-2-4-13(11-12)15(19)20;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-13-9(12)7-4-2-3-6(5-7)8(10)11;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h4-10,13-15H,1-3,11-12,16,29H2,(H,31,33);3-5,12H,6-11H2,1-2H3;2-4,11H,5-10H2,1H3,(H,19,20);4-9H2,1-3H3,(H,12,14);2-5H,1H3;2-5H,1H3,(H,10,11);8H,2-7H2,1H3;1-7H2
InChIKeyHHHURGKFPFXZHN-UHFFFAOYSA-N
MW1936.67 g/mol
LogP9.62
Rot. Bonds27

About 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine

2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine (PubChem CID 158479223) has the molecular formula C98H134ClF3N14O21 and a molecular weight of 1936.67 g/mol. Its IUPAC name is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine
PubChem CID158479223
Molecular FormulaC98H134ClF3N14O21
Molecular Weight1936.67 g/mol
Exact Mass1934.95
IUPAC Name2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)O)c1.CNCCN1CCOCC1.COC(=O)c1cccc(C(=O)Cl)c1.COC(=O)c1cccc(C(=O)N(C)CCN2CCOCC2)c1.COC(=O)c1cccc(C(=O)O)c1.NCCN1CCOCC1.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C25H25F3N4O.C16H22N2O4.C15H20N2O4.C11H22N2O3.C9H7ClO3.C9H8O4.C7H16N2O.C6H14N2O/c26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32;1-17(6-7-18-8-10-22-11-9-18)15(19)13-4-3-5-14(12-13)16(20)21-2;1-16(5-6-17-7-9-21-10-8-17)14(18)12-3-2-4-13(11-12)15(19)20;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-13-9(12)7-4-2-3-6(5-7)8(10)11;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h4-10,13-15H,1-3,11-12,16,29H2,(H,31,33);3-5,12H,6-11H2,1-2H3;2-4,11H,5-10H2,1H3,(H,19,20);4-9H2,1-3H3,(H,12,14);2-5H,1H3;2-5H,1H3,(H,10,11);8H,2-7H2,1H3;1-7H2
InChIKeyHHHURGKFPFXZHN-UHFFFAOYSA-N
XLogP9.62
TPSA421.17 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001936.67
LogP ≤ 59.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine with MolForge

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Related Compounds

3-[[3-[[4-Piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenyl]methoxymethyl]benzoic acid
CID 56966218
2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate
CID 89927750
1-(3-(4-(Diethylamino)-2-(4-(3-(trifluoromethyl)benzylcarbamoyl)pyridin-2-yl)phenyl carbamoyl)phenyl)-2,5,8,11,14,17-hexaoxanonadecan-19-yl 2-morpholinoethylcarbamate
CID 89927751
2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 89927925
2-[2-[2-[2-[2-[2-[[3-[[4-(Diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxylate
CID 89936941
2-[5-(diethylamino)-2-[[3-[2-[2-[2-[2-[2-[2-[methyl(2-morpholin-4-ylethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 89936957
2-[2-[[3-[[4-(Diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethyl 4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxylate
CID 117787098
2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate
CID 117787100
N-methyl-N-(2-morpholin-4-ylethyl)-3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]-2-pyridinyl]anilino]methoxymethyl]benzamide
CID 132126462
3-[[[3-[Hydroxy-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]anilino]methyl]benzoyl]-methylamino]methyl]benzoic acid
CID 132126827
2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 140661987
2-[2-[2-[2-[2-[2-[[3-[[4-(Diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-morpholin-4-ylbutanoate
CID 149040002

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
The IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine (CID 158479223) is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine is CC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)O)c1.CNCCN1CCOCC1.COC(=O)c1cccc(C(=O)Cl)c1.COC(=O)c1cccc(C(=O)N(C)CCN2CCOCC2)c1.COC(=O)c1cccc(C(=O)O)c1.NCCN1CCOCC1.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
The InChIKey is HHHURGKFPFXZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O.C16H22N2O4.C15H20N2O4.C11H22N2O3.C9H7ClO3.C9H8O4.C7H16N2O.C6H14N2O/c26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32;1-17(6-7-18-8-10-22-11-9-18)15(19)13-4-3-5-14(12-13)16(20)21-2;1-16(5-6-17-7-9-21-10-8-17)14(18)12-3-2-4-13(11-12)15(19)20;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-13-9(12)7-4-2-3-6(5-7)8(10)11;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h4-10,13-15H,1-3,11-12,16,29H2,(H,31,33);3-5,12H,6-11H2,1-2H3;2-4,11H,5-10H2,1H3,(H,19,20);4-9H2,1-3H3,(H,12,14);2-5H,1H3;2-5H,1H3,(H,10,11);8H,2-7H2,1H3;1-7H2.
What are the key properties of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine has a molecular weight of 1936.67 g/mol, XLogP of 9.62, 27 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 158479223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).