N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

C16H15N3O — CID 47283577

IUPACN-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C16H15N3O/c1-11-6-7-15(12(2)19-11)16(20)18-10-14-5-3-4-13(8-14)9-17/h3-8H,10H2,1-2H3,(H,18,20)
InChIKeySSBVJVDPUNZPAE-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.50
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 47283577) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID47283577
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C16H15N3O/c1-11-6-7-15(12(2)19-11)16(20)18-10-14-5-3-4-13(8-14)9-17/h3-8H,10H2,1-2H3,(H,18,20)
InChIKeySSBVJVDPUNZPAE-UHFFFAOYSA-N
XLogP2.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-[[3-(bromomethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 114313153
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623868
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
N-[(3-cyanophenyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81244932
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
CID 62314064
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (CID 47283577) is N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2cccc(C#N)c2)c(C)n1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is SSBVJVDPUNZPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-6-7-15(12(2)19-11)16(20)18-10-14-5-3-4-13(8-14)9-17/h3-8H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 47283577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).