4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone

C18H15N5O — CID 159414201

IUPAC4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
SMILESN#Cc1cnccc1N.Nc1ccncc1C(=O)c1ccccc1
InChIInChI=1S/C12H10N2O.C6H5N3/c13-11-6-7-14-8-10(11)12(15)9-4-2-1-3-5-9;7-3-5-4-9-2-1-6(5)8/h1-8H,(H2,13,14);1-2,4H,(H2,8,9)
InChIKeyLOYNPVBVGAWXCJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.43
Rot. Bonds2

About 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone

4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone (PubChem CID 159414201) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
PubChem CID159414201
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
SMILESN#Cc1cnccc1N.Nc1ccncc1C(=O)c1ccccc1
InChIInChI=1S/C12H10N2O.C6H5N3/c13-11-6-7-14-8-10(11)12(15)9-4-2-1-3-5-9;7-3-5-4-9-2-1-6(5)8/h1-8H,(H2,13,14);1-2,4H,(H2,8,9)
InChIKeyLOYNPVBVGAWXCJ-UHFFFAOYSA-N
XLogP2.43
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
CID 116548721
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
4-amino-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 81235852
[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
CID 116548154
(3-bromo-4-pyridinyl)-phenylmethanone
CID 102419732
(2-aminophenyl)-phenylmethanone
CID 158207972
3-cyanopyridine-4-carboxamide
CID 68581074
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
CID 114329651
phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
CID 67912656
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
CID 82809025

Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone?
The IUPAC name of 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone (CID 159414201) is 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone?
The canonical SMILES for 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone is N#Cc1cnccc1N.Nc1ccncc1C(=O)c1ccccc1.
What is the InChIKey of 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone?
The InChIKey is LOYNPVBVGAWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.C6H5N3/c13-11-6-7-14-8-10(11)12(15)9-4-2-1-3-5-9;7-3-5-4-9-2-1-6(5)8/h1-8H,(H2,13,14);1-2,4H,(H2,8,9).
What are the key properties of 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone?
4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone has a molecular weight of 317.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 159414201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).