5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide

C15H14N4O — CID 81316278

IUPAC5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C15H14N4O/c1-19(10-12-4-2-3-11(7-12)8-16)15(20)14-6-5-13(17)9-18-14/h2-7,9H,10,17H2,1H3
InChIKeyRBQGGLGSDHVVRF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.81
Rot. Bonds3

About 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide

5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 81316278) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID81316278
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C15H14N4O/c1-19(10-12-4-2-3-11(7-12)8-16)15(20)14-6-5-13(17)9-18-14/h2-7,9H,10,17H2,1H3
InChIKeyRBQGGLGSDHVVRF-UHFFFAOYSA-N
XLogP1.81
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375530
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
3-[[(6-acetyl-3-pyridinyl)-methylamino]methyl]benzonitrile
CID 83119462
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685
N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 62968450
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 81316278) is 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is RBQGGLGSDHVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(10-12-4-2-3-11(7-12)8-16)15(20)14-6-5-13(17)9-18-14/h2-7,9H,10,17H2,1H3.
What are the key properties of 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81316278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).