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

C22H29N7O2 — CID 59453835

IUPAC1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide
SMILESCCCC[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C22H29N7O2/c1-3-4-7-18(22(31)23-17-8-5-6-16(17)20-25-27-28-26-20)24-21(30)15-10-9-14-11-12-29(2)19(14)13-15/h9-13,16-18H,3-8H2,1-2H3,(H,23,31)(H,24,30)(H,25,26,27,28)/t16-,17+,18+/m1/s1
InChIKeyBCCXYZBIPRUKFV-SQNIBIBYSA-N
MW423.52 g/mol
LogP2.43
Rot. Bonds8

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

1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide (PubChem CID 59453835) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide
PubChem CID59453835
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide
SMILESCCCC[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C22H29N7O2/c1-3-4-7-18(22(31)23-17-8-5-6-16(17)20-25-27-28-26-20)24-21(30)15-10-9-14-11-12-29(2)19(14)13-15/h9-13,16-18H,3-8H2,1-2H3,(H,23,31)(H,24,30)(H,25,26,27,28)/t16-,17+,18+/m1/s1
InChIKeyBCCXYZBIPRUKFV-SQNIBIBYSA-N
XLogP2.43
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide
CID 59453896
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453855
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
N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide
CID 145488359
cis-phenacyl (1R,2S)-2-[[(2S)-2-(naphthalene-2-carbonylamino)hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453968
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
(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide
CID 59454005
N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453796
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453871
4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
CID 110210359
cis-(1R,2S)-2-[[(2S)-2-[(1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453908
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 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide (CID 59453835) is 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide is CCCC[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide?
The InChIKey is BCCXYZBIPRUKFV-SQNIBIBYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-3-4-7-18(22(31)23-17-8-5-6-16(17)20-25-27-28-26-20)24-21(30)15-10-9-14-11-12-29(2)19(14)13-15/h9-13,16-18H,3-8H2,1-2H3,(H,23,31)(H,24,30)(H,25,26,27,28)/t16-,17+,18+/m1/s1.
What are the key properties of 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide?
1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide is sourced from PubChem (CID 59453835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).