N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide

C14H12N4O — CID 63723338

IUPACN-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H12N4O/c1-9-3-2-4-11(16)13(9)18-14(19)12-6-5-10(7-15)8-17-12/h2-6,8H,16H2,1H3,(H,18,19)
InChIKeyXZQVKLUOCZOUMP-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.10
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide

N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 63723338) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
PubChem CID63723338
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H12N4O/c1-9-3-2-4-11(16)13(9)18-14(19)12-6-5-10(7-15)8-17-12/h2-6,8H,16H2,1H3,(H,18,19)
InChIKeyXZQVKLUOCZOUMP-UHFFFAOYSA-N
XLogP2.10
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3073016
N-(2-amino-6-methylphenyl)-6-methylpyridine-3-carboxamide
CID 43152306
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide
CID 107856982

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide (CID 63723338) is N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide is Cc1cccc(N)c1NC(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is XZQVKLUOCZOUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-3-2-4-11(16)13(9)18-14(19)12-6-5-10(7-15)8-17-12/h2-6,8H,16H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide?
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 63723338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).