2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid

C16H14N6O2 — CID 171338599

IUPAC2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid
SMILESCc1ccc(-c2cc(-c3cnc[nH]3)c(C#N)c(N)n2)nc1.O=CO
InChIInChI=1S/C15H12N6.CH2O2/c1-9-2-3-12(19-6-9)13-4-10(14-7-18-8-20-14)11(5-16)15(17)21-13;2-1-3/h2-4,6-8H,1H3,(H2,17,21)(H,18,20);1H,(H,2,3)
InChIKeyJONDZZSFOCTKBQ-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.00
Rot. Bonds2

About 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid

2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid (PubChem CID 171338599) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid.

Molecular Properties

Compound Name2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid
PubChem CID171338599
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid
SMILESCc1ccc(-c2cc(-c3cnc[nH]3)c(C#N)c(N)n2)nc1.O=CO
InChIInChI=1S/C15H12N6.CH2O2/c1-9-2-3-12(19-6-9)13-4-10(14-7-18-8-20-14)11(5-16)15(17)21-13;2-1-3/h2-4,6-8H,1H3,(H2,17,21)(H,18,20);1H,(H,2,3)
InChIKeyJONDZZSFOCTKBQ-UHFFFAOYSA-N
XLogP2.00
TPSA141.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
CID 162190554
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
CID 3365204
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid
CID 171339150
2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid
CID 171339703
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
methyl 4-[2-amino-3-cyano-6-(2,4-dimethylphenyl)-4-pyridinyl]benzoate
CID 3470406
ethyl 4-[6-amino-4-(1H-imidazol-5-yl)-5-(methyliminomethyl)-2-pyridinyl]benzoate
CID 146773114
2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide
CID 56866317
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid?
The IUPAC name of 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid (CID 171338599) is 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid.
What is the SMILES notation for 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid?
The canonical SMILES for 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid is Cc1ccc(-c2cc(-c3cnc[nH]3)c(C#N)c(N)n2)nc1.O=CO.
What is the InChIKey of 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid?
The InChIKey is JONDZZSFOCTKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6.CH2O2/c1-9-2-3-12(19-6-9)13-4-10(14-7-18-8-20-14)11(5-16)15(17)21-13;2-1-3/h2-4,6-8H,1H3,(H2,17,21)(H,18,20);1H,(H,2,3).
What are the key properties of 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid?
2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid has a molecular weight of 322.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid is sourced from PubChem (CID 171338599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).