N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide

C17H13N3O — CID 110695121

IUPACN-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)Nc3cccc(C#N)c3)ccc2[nH]1
InChIInChI=1S/C17H13N3O/c1-11-7-14-9-13(5-6-16(14)19-11)17(21)20-15-4-2-3-12(8-15)10-18/h2-9,19H,1H3,(H,20,21)
InChIKeyHCICMYUOXQWCSK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.60
Rot. Bonds2

About N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide

N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide (PubChem CID 110695121) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
PubChem CID110695121
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)Nc3cccc(C#N)c3)ccc2[nH]1
InChIInChI=1S/C17H13N3O/c1-11-7-14-9-13(5-6-16(14)19-11)17(21)20-15-4-2-3-12(8-15)10-18/h2-9,19H,1H3,(H,20,21)
InChIKeyHCICMYUOXQWCSK-UHFFFAOYSA-N
XLogP3.60
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90213286
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CID 62166375
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
3-bromo-4-tert-butyl-N-(3-cyanophenyl)benzamide
CID 1014173
N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765337
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide (CID 110695121) is N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide is Cc1cc2cc(C(=O)Nc3cccc(C#N)c3)ccc2[nH]1.
What is the InChIKey of N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide?
The InChIKey is HCICMYUOXQWCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-7-14-9-13(5-6-16(14)19-11)17(21)20-15-4-2-3-12(8-15)10-18/h2-9,19H,1H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide?
N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 110695121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).