N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide

C15H16N2O — CID 110793358

IUPACN-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C15H16N2O/c1-11-6-7-12(2)13(9-11)10-17-15(18)14-5-3-4-8-16-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyLYDQABSMLKVSBM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.63
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide

N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 110793358) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
PubChem CID110793358
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C15H16N2O/c1-11-6-7-12(2)13(9-11)10-17-15(18)14-5-3-4-8-16-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyLYDQABSMLKVSBM-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
CID 110794329
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966196
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
CID 102173247
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662758
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide (CID 110793358) is N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(C)c(CNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is LYDQABSMLKVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-6-7-12(2)13(9-11)10-17-15(18)14-5-3-4-8-16-14/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110793358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).