1-benzyl-N-prop-2-ynylindole-3-carboxamide

C19H16N2O — CID 32985636

IUPAC1-benzyl-N-prop-2-ynylindole-3-carboxamide
SMILESC#CCNC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H16N2O/c1-2-12-20-19(22)17-14-21(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h1,3-11,14H,12-13H2,(H,20,22)
InChIKeyOGLKCHKXOGBQJQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.05
Rot. Bonds4

About 1-benzyl-N-prop-2-ynylindole-3-carboxamide

1-benzyl-N-prop-2-ynylindole-3-carboxamide (PubChem CID 32985636) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-benzyl-N-prop-2-ynylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-prop-2-ynylindole-3-carboxamide
PubChem CID32985636
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-N-prop-2-ynylindole-3-carboxamide
SMILESC#CCNC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H16N2O/c1-2-12-20-19(22)17-14-21(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h1,3-11,14H,12-13H2,(H,20,22)
InChIKeyOGLKCHKXOGBQJQ-UHFFFAOYSA-N
XLogP3.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
CID 97243081
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-prop-2-ynylindole-3-carboxamide?
The IUPAC name of 1-benzyl-N-prop-2-ynylindole-3-carboxamide (CID 32985636) is 1-benzyl-N-prop-2-ynylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-prop-2-ynylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-prop-2-ynylindole-3-carboxamide is C#CCNC(=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-prop-2-ynylindole-3-carboxamide?
The InChIKey is OGLKCHKXOGBQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-12-20-19(22)17-14-21(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h1,3-11,14H,12-13H2,(H,20,22).
What are the key properties of 1-benzyl-N-prop-2-ynylindole-3-carboxamide?
1-benzyl-N-prop-2-ynylindole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-prop-2-ynylindole-3-carboxamide is sourced from PubChem (CID 32985636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).