N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide

C15H17N3O2 — CID 167938853

IUPACN-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2c(C3CC3)cccc2[nH]1)C(N)=O
InChIInChI=1S/C15H17N3O2/c1-8(14(16)19)17-15(20)13-7-11-10(9-5-6-9)3-2-4-12(11)18-13/h2-4,7-9,18H,5-6H2,1H3,(H2,16,19)(H,17,20)
InChIKeyVJFSMBGUMPZIPW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.65
Rot. Bonds4

About N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide

N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide (PubChem CID 167938853) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide
PubChem CID167938853
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2c(C3CC3)cccc2[nH]1)C(N)=O
InChIInChI=1S/C15H17N3O2/c1-8(14(16)19)17-15(20)13-7-11-10(9-5-6-9)3-2-4-12(11)18-13/h2-4,7-9,18H,5-6H2,1H3,(H2,16,19)(H,17,20)
InChIKeyVJFSMBGUMPZIPW-UHFFFAOYSA-N
XLogP1.65
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide
CID 167898298
4-cyclopropyl-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 167748241
4-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 166248461
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-cyclopropyl-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 162479400
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 94652955
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-[(2S)-1-cyclopropyl-3-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167238193

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide (CID 167938853) is N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide is CC(NC(=O)c1cc2c(C3CC3)cccc2[nH]1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide?
The InChIKey is VJFSMBGUMPZIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8(14(16)19)17-15(20)13-7-11-10(9-5-6-9)3-2-4-12(11)18-13/h2-4,7-9,18H,5-6H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-cyclopropyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167938853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).