N-(1-methylcyclopropyl)-1H-indole-3-carboxamide

C13H14N2O — CID 115634491

IUPACN-(1-methylcyclopropyl)-1H-indole-3-carboxamide
SMILESCC1(NC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C13H14N2O/c1-13(6-7-13)15-12(16)10-8-14-11-5-3-2-4-9(10)11/h2-5,8,14H,6-7H2,1H3,(H,15,16)
InChIKeyKBXOQTJBRNQEFF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.45
Rot. Bonds2

About N-(1-methylcyclopropyl)-1H-indole-3-carboxamide

N-(1-methylcyclopropyl)-1H-indole-3-carboxamide (PubChem CID 115634491) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-1H-indole-3-carboxamide
PubChem CID115634491
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(1-methylcyclopropyl)-1H-indole-3-carboxamide
SMILESCC1(NC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C13H14N2O/c1-13(6-7-13)15-12(16)10-8-14-11-5-3-2-4-9(10)11/h2-5,8,14H,6-7H2,1H3,(H,15,16)
InChIKeyKBXOQTJBRNQEFF-UHFFFAOYSA-N
XLogP2.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-3-carboxamide
CID 115878291
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
2-(1H-indole-3-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765821

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(1-methylcyclopropyl)-1H-indole-3-carboxamide (CID 115634491) is N-(1-methylcyclopropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-methylcyclopropyl)-1H-indole-3-carboxamide is CC1(NC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-1H-indole-3-carboxamide?
The InChIKey is KBXOQTJBRNQEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-13(6-7-13)15-12(16)10-8-14-11-5-3-2-4-9(10)11/h2-5,8,14H,6-7H2,1H3,(H,15,16).
What are the key properties of N-(1-methylcyclopropyl)-1H-indole-3-carboxamide?
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 115634491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).