N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide

C16H15N3O — CID 62968450

IUPACN-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-12-5-4-8-18-15(12)16(20)19(2)11-14-7-3-6-13(9-14)10-17/h3-9H,11H2,1-2H3
InChIKeyKEVXPECAJWQQEZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide

N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 62968450) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
PubChem CID62968450
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-12-5-4-8-18-15(12)16(20)19(2)11-14-7-3-6-13(9-14)10-17/h3-9H,11H2,1-2H3
InChIKeyKEVXPECAJWQQEZ-UHFFFAOYSA-N
XLogP2.53
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
N-[(4-hydroxyphenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060277
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 47024081
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
3-[(3-cyanophenyl)methyl-(3-methyl-2-pyridinyl)amino]propanoic acid
CID 82320394
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide (CID 62968450) is N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide is Cc1cccnc1C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is KEVXPECAJWQQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-5-4-8-18-15(12)16(20)19(2)11-14-7-3-6-13(9-14)10-17/h3-9H,11H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide?
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 62968450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).