N-(2-cyanopropyl)-1H-indole-3-carboxamide

C13H13N3O — CID 62651700

IUPACN-(2-cyanopropyl)-1H-indole-3-carboxamide
SMILESCC(C#N)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H13N3O/c1-9(6-14)7-16-13(17)11-8-15-12-5-3-2-4-10(11)12/h2-5,8-9,15H,7H2,1H3,(H,16,17)
InChIKeyFWBLJVXBWKLOFV-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.06
Rot. Bonds3

About N-(2-cyanopropyl)-1H-indole-3-carboxamide

N-(2-cyanopropyl)-1H-indole-3-carboxamide (PubChem CID 62651700) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2-cyanopropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-1H-indole-3-carboxamide
PubChem CID62651700
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(2-cyanopropyl)-1H-indole-3-carboxamide
SMILESCC(C#N)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H13N3O/c1-9(6-14)7-16-13(17)11-8-15-12-5-3-2-4-10(11)12/h2-5,8-9,15H,7H2,1H3,(H,16,17)
InChIKeyFWBLJVXBWKLOFV-UHFFFAOYSA-N
XLogP2.06
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-1H-indole-3-carboxamide (CID 62651700) is N-(2-cyanopropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-1H-indole-3-carboxamide is CC(C#N)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-cyanopropyl)-1H-indole-3-carboxamide?
The InChIKey is FWBLJVXBWKLOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9(6-14)7-16-13(17)11-8-15-12-5-3-2-4-10(11)12/h2-5,8-9,15H,7H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanopropyl)-1H-indole-3-carboxamide?
N-(2-cyanopropyl)-1H-indole-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 62651700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).