6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide

C18H24ClN7O2 — CID 59453896

IUPAC6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide
SMILESCCCC[C@H](NC(=O)c1cccc(Cl)n1)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C18H24ClN7O2/c1-2-3-7-14(22-17(27)13-9-5-10-15(19)20-13)18(28)21-12-8-4-6-11(12)16-23-25-26-24-16/h5,9-12,14H,2-4,6-8H2,1H3,(H,21,28)(H,22,27)(H,23,24,25,26)/t11-,12+,14+/m1/s1
InChIKeyZEZABLUFBVGMEF-DYEKYZERSA-N
MW405.89 g/mol
LogP1.99
Rot. Bonds8

About 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide

6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide (PubChem CID 59453896) has the molecular formula C18H24ClN7O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide
PubChem CID59453896
Molecular FormulaC18H24ClN7O2
Molecular Weight405.89 g/mol
Exact Mass405.17
IUPAC Name6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide
SMILESCCCC[C@H](NC(=O)c1cccc(Cl)n1)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C18H24ClN7O2/c1-2-3-7-14(22-17(27)13-9-5-10-15(19)20-13)18(28)21-12-8-4-6-11(12)16-23-25-26-24-16/h5,9-12,14H,2-4,6-8H2,1H3,(H,21,28)(H,22,27)(H,23,24,25,26)/t11-,12+,14+/m1/s1
InChIKeyZEZABLUFBVGMEF-DYEKYZERSA-N
XLogP1.99
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-[[(2S)-2-[(6-chloropyridine-2-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453841
1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide
CID 59453835
N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide
CID 145488359
N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
CID 163504552
(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide
CID 59454005
1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)cyclopentyl]amino]hexan-2-yl]indazole-4-carboxamide
CID 59453971
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
6-chloro-N-[(3R)-4-oxohexan-3-yl]pyridine-2-carboxamide
CID 129388932
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453905
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide
CID 59454084

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide (CID 59453896) is 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide is CCCC[C@H](NC(=O)c1cccc(Cl)n1)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide?
The InChIKey is ZEZABLUFBVGMEF-DYEKYZERSA-N. The full InChI is InChI=1S/C18H24ClN7O2/c1-2-3-7-14(22-17(27)13-9-5-10-15(19)20-13)18(28)21-12-8-4-6-11(12)16-23-25-26-24-16/h5,9-12,14H,2-4,6-8H2,1H3,(H,21,28)(H,22,27)(H,23,24,25,26)/t11-,12+,14+/m1/s1.
What are the key properties of 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide?
6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59453896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).