1-[(3-cyanophenyl)methyl]indole-2-carboxamide

C17H13N3O — CID 11832625

IUPAC1-[(3-cyanophenyl)methyl]indole-2-carboxamide
SMILESN#Cc1cccc(Cn2c(C(N)=O)cc3ccccc32)c1
InChIInChI=1S/C17H13N3O/c18-10-12-4-3-5-13(8-12)11-20-15-7-2-1-6-14(15)9-16(20)17(19)21/h1-9H,11H2,(H2,19,21)
InChIKeyUKWJPQJUBUFGAC-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.66
Rot. Bonds3

About 1-[(3-cyanophenyl)methyl]indole-2-carboxamide

1-[(3-cyanophenyl)methyl]indole-2-carboxamide (PubChem CID 11832625) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]indole-2-carboxamide
PubChem CID11832625
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1-[(3-cyanophenyl)methyl]indole-2-carboxamide
SMILESN#Cc1cccc(Cn2c(C(N)=O)cc3ccccc32)c1
InChIInChI=1S/C17H13N3O/c18-10-12-4-3-5-13(8-12)11-20-15-7-2-1-6-14(15)9-16(20)17(19)21/h1-9H,11H2,(H2,19,21)
InChIKeyUKWJPQJUBUFGAC-UHFFFAOYSA-N
XLogP2.66
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
CID 10950077
1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 70171550
ethyl 1-[(3-cyanophenyl)methyl]-4-hydroxyindole-2-carboxylate
CID 54202309
3-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 115576478
5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 54425705
3-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 115576424
1-[(4-carbamoylphenyl)methyl]-6-cyanoindole-2-carboxylic acid
CID 146459962
3-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 141139474
N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 10712336
N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxamide
CID 10949866
7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22741187
9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414740

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]indole-2-carboxamide?
The IUPAC name of 1-[(3-cyanophenyl)methyl]indole-2-carboxamide (CID 11832625) is 1-[(3-cyanophenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]indole-2-carboxamide is N#Cc1cccc(Cn2c(C(N)=O)cc3ccccc32)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]indole-2-carboxamide?
The InChIKey is UKWJPQJUBUFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-10-12-4-3-5-13(8-12)11-20-15-7-2-1-6-14(15)9-16(20)17(19)21/h1-9H,11H2,(H2,19,21).
What are the key properties of 1-[(3-cyanophenyl)methyl]indole-2-carboxamide?
1-[(3-cyanophenyl)methyl]indole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 11832625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).