sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide

C63H76Cl3N12NaO10 — CID 158904890

IUPACsodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide
SMILESCN1CCN(Cc2ccc(Cc3ccc(C(=O)N[C@H]4CCC[C@@H]4OCc4ccccc4)c(N)n3)cc2)CC1.CO.COC(=O)c1ccc(Cl)nc1N.Nc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1.Nc1nc(Cl)ccc1C(=O)O.[Na+].[OH-]
InChIInChI=1S/C31H39N5O2.C18H20ClN3O2.C7H7ClN2O2.C6H5ClN2O2.CH4O.Na.H2O/c1-35-16-18-36(19-17-35)21-24-12-10-23(11-13-24)20-26-14-15-27(30(32)33-26)31(37)34-28-8-5-9-29(28)38-22-25-6-3-2-4-7-25;19-16-10-9-13(17(20)22-16)18(23)21-14-7-4-8-15(14)24-11-12-5-2-1-3-6-12;1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;1-2;;/h2-4,6-7,10-15,28-29H,5,8-9,16-22H2,1H3,(H2,32,33)(H,34,37);1-3,5-6,9-10,14-15H,4,7-8,11H2,(H2,20,22)(H,21,23);2-3H,1H3,(H2,9,10);1-2H,(H2,8,9)(H,10,11);2H,1H3;;1H2/q;;;;;+1;/p-1/t28-,29-;14-,15-;;;;;/m00...../s1
InChIKeyJFXOLEGVKSRVRX-YAISCQJXSA-M
MW1290.72 g/mol
LogP5.61
Rot. Bonds16

About sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide

sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide (PubChem CID 158904890) has the molecular formula C63H76Cl3N12NaO10 and a molecular weight of 1290.72 g/mol. Its IUPAC name is sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide.

Molecular Properties

Compound Namesodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide
PubChem CID158904890
Molecular FormulaC63H76Cl3N12NaO10
Molecular Weight1290.72 g/mol
Exact Mass1288.48
IUPAC Namesodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide
SMILESCN1CCN(Cc2ccc(Cc3ccc(C(=O)N[C@H]4CCC[C@@H]4OCc4ccccc4)c(N)n3)cc2)CC1.CO.COC(=O)c1ccc(Cl)nc1N.Nc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1.Nc1nc(Cl)ccc1C(=O)O.[Na+].[OH-]
InChIInChI=1S/C31H39N5O2.C18H20ClN3O2.C7H7ClN2O2.C6H5ClN2O2.CH4O.Na.H2O/c1-35-16-18-36(19-17-35)21-24-12-10-23(11-13-24)20-26-14-15-27(30(32)33-26)31(37)34-28-8-5-9-29(28)38-22-25-6-3-2-4-7-25;19-16-10-9-13(17(20)22-16)18(23)21-14-7-4-8-15(14)24-11-12-5-2-1-3-6-12;1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;1-2;;/h2-4,6-7,10-15,28-29H,5,8-9,16-22H2,1H3,(H2,32,33)(H,34,37);1-3,5-6,9-10,14-15H,4,7-8,11H2,(H2,20,22)(H,21,23);2-3H,1H3,(H2,9,10);1-2H,(H2,8,9)(H,10,11);2H,1H3;;1H2/q;;;;;+1;/p-1/t28-,29-;14-,15-;;;;;/m00...../s1
InChIKeyJFXOLEGVKSRVRX-YAISCQJXSA-M
XLogP5.61
TPSA352.61 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001290.72
LogP ≤ 55.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

6-Chloro-3-methylpyridine-2-carboxylic acid;4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-amino-3,5-dimethylbenzoate;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4-methoxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate
CID 159268730
sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methane;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide
CID 160246580
Ethyl 4-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;4-[[6-(4-hydroxypiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;piperidin-4-ol
CID 160439876
6-Chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-amino-3,5-dimethylbenzoate;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;ethyl 4-[[6-(4-hydroxy-4-methylpiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate;4-[[6-(4-hydroxy-4-methylpiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 161713985
(6-Amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one
CID 167672885

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide?
The IUPAC name of sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide (CID 158904890) is sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide.
What is the SMILES notation for sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide?
The canonical SMILES for sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide is CN1CCN(Cc2ccc(Cc3ccc(C(=O)N[C@H]4CCC[C@@H]4OCc4ccccc4)c(N)n3)cc2)CC1.CO.COC(=O)c1ccc(Cl)nc1N.Nc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1.Nc1nc(Cl)ccc1C(=O)O.[Na+].[OH-].
What is the InChIKey of sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide?
The InChIKey is JFXOLEGVKSRVRX-YAISCQJXSA-M. The full InChI is InChI=1S/C31H39N5O2.C18H20ClN3O2.C7H7ClN2O2.C6H5ClN2O2.CH4O.Na.H2O/c1-35-16-18-36(19-17-35)21-24-12-10-23(11-13-24)20-26-14-15-27(30(32)33-26)31(37)34-28-8-5-9-29(28)38-22-25-6-3-2-4-7-25;19-16-10-9-13(17(20)22-16)18(23)21-14-7-4-8-15(14)24-11-12-5-2-1-3-6-12;1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;1-2;;/h2-4,6-7,10-15,28-29H,5,8-9,16-22H2,1H3,(H2,32,33)(H,34,37);1-3,5-6,9-10,14-15H,4,7-8,11H2,(H2,20,22)(H,21,23);2-3H,1H3,(H2,9,10);1-2H,(H2,8,9)(H,10,11);2H,1H3;;1H2/q;;;;;+1;/p-1/t28-,29-;14-,15-;;;;;/m00...../s1.
What are the key properties of sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide?
sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide has a molecular weight of 1290.72 g/mol, XLogP of 5.61, 16 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 158904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).