N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide

C13H13ClN4O2 — CID 141094418

IUPACN-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
SMILESN[C@@H]1CNC(=O)C1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C13H13ClN4O2/c14-7-1-2-9-6(3-7)4-10(17-9)12(19)18-11-8(15)5-16-13(11)20/h1-4,8,11,17H,5,15H2,(H,16,20)(H,18,19)/t8-,11?/m1/s1
InChIKeyBMFUJDHGNHJFGB-RZZZFEHKSA-N
MW292.73 g/mol
LogP0.38
Rot. Bonds2

About N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide

N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 141094418) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
PubChem CID141094418
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
SMILESN[C@@H]1CNC(=O)C1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C13H13ClN4O2/c14-7-1-2-9-6(3-7)4-10(17-9)12(19)18-11-8(15)5-16-13(11)20/h1-4,8,11,17H,5,15H2,(H,16,20)(H,18,19)/t8-,11?/m1/s1
InChIKeyBMFUJDHGNHJFGB-RZZZFEHKSA-N
XLogP0.38
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-5-oxooxolan-3-yl]carbamic acid
CID 67056443
N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442866
5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
N-[(3aR,5R,6S,7aS)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68907064
N-[(3aS,5R,6S,7aR)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68905442
ethyl (1R,3S,4R)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 67056797
5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide
CID 11674808
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
CID 163527865

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide (CID 141094418) is N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide is N[C@@H]1CNC(=O)C1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is BMFUJDHGNHJFGB-RZZZFEHKSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-7-1-2-9-6(3-7)4-10(17-9)12(19)18-11-8(15)5-16-13(11)20/h1-4,8,11,17H,5,15H2,(H,16,20)(H,18,19)/t8-,11?/m1/s1.
What are the key properties of N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide?
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 141094418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).