N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide

C16H16N4O — CID 81238313

IUPACN-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C16H16N4O/c1-18-15-6-7-19-10-14(15)16(21)20(2)11-13-5-3-4-12(8-13)9-17/h3-8,10H,11H2,1-2H3,(H,18,19)
InChIKeyKXXWMXIYXNVAES-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.27
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide

N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81238313) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81238313
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C16H16N4O/c1-18-15-6-7-19-10-14(15)16(21)20(2)11-13-5-3-4-12(8-13)9-17/h3-8,10H,11H2,1-2H3,(H,18,19)
InChIKeyKXXWMXIYXNVAES-UHFFFAOYSA-N
XLogP2.27
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375530
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
3-bromo-N-[(3-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 106544611
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 81256233
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 62968450

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81238313) is N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is KXXWMXIYXNVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-18-15-6-7-19-10-14(15)16(21)20(2)11-13-5-3-4-12(8-13)9-17/h3-8,10H,11H2,1-2H3,(H,18,19).
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).