N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide

C20H24N4O4 — CID 155912791

IUPACN-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide
SMILESO=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cc4ccccc4[nH]3)C2)CCCN1
InChIInChI=1S/C20H24N4O4/c25-17-10-13(20(28)24-7-3-6-21-18(26)11-24)9-15(17)23-19(27)16-8-12-4-1-2-5-14(12)22-16/h1-2,4-5,8,13,15,17,22,25H,3,6-7,9-11H2,(H,21,26)(H,23,27)/t13-,15+,17+/m0/s1
InChIKeyFWJXHRUYKWCBQX-YSVLISHTSA-N
MW384.44 g/mol
LogP0.39
Rot. Bonds3

About N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide

N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide (PubChem CID 155912791) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide
PubChem CID155912791
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide
SMILESO=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cc4ccccc4[nH]3)C2)CCCN1
InChIInChI=1S/C20H24N4O4/c25-17-10-13(20(28)24-7-3-6-21-18(26)11-24)9-15(17)23-19(27)16-8-12-4-1-2-5-14(12)22-16/h1-2,4-5,8,13,15,17,22,25H,3,6-7,9-11H2,(H,21,26)(H,23,27)/t13-,15+,17+/m0/s1
InChIKeyFWJXHRUYKWCBQX-YSVLISHTSA-N
XLogP0.39
TPSA114.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 67793524
N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 155912269
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide
CID 162629069
N-(2,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63998403
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 159732987
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide (CID 155912791) is N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide is O=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cc4ccccc4[nH]3)C2)CCCN1.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide?
The InChIKey is FWJXHRUYKWCBQX-YSVLISHTSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-17-10-13(20(28)24-7-3-6-21-18(26)11-24)9-15(17)23-19(27)16-8-12-4-1-2-5-14(12)22-16/h1-2,4-5,8,13,15,17,22,25H,3,6-7,9-11H2,(H,21,26)(H,23,27)/t13-,15+,17+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide?
N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155912791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).