1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile

C16H11N3O — CID 162650121

IUPAC1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCc1cccc(C(=O)n2cc(C#N)c3cnccc32)c1
InChIInChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3
InChIKeyTZVOWHPCVPGQMO-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.90
Rot. Bonds1

About 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile

1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 162650121) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID162650121
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCc1cccc(C(=O)n2cc(C#N)c3cnccc32)c1
InChIInChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3
InChIKeyTZVOWHPCVPGQMO-UHFFFAOYSA-N
XLogP2.90
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Lly-507
CID 91623361
1-methyl-N-phenyl-1H-indole-3-carboxamide
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6-Cyano-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(1-ethylpropyl)-1H-indole-4-carboxamide
CID 72199293
3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide
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(2E)-3-(1-methyl-1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 5905206
1-Pentyl-N-(phenylmethyl)-1H-indole-3-carboxamide
CID 2227769
2-[(3-acetyl-1H-indol-1-yl)methyl]benzonitrile
CID 951643
4-(1-ethyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 22522935
N-Isopropyl-2-(1-methyl-2-phenyl-1H-indol-3-yl)-N-pyridin-4-ylmethyl-acetamide
CID 9952667
9-Ethyl-9H-carbazole-3-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
CID 10958843
[3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-indol-1-yl]-phenyl-methanone
CID 23288143

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 162650121) is 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is Cc1cccc(C(=O)n2cc(C#N)c3cnccc32)c1.
What is the InChIKey of 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is TZVOWHPCVPGQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3.
What are the key properties of 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzoyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 162650121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).