N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C14H14N2O — CID 825463

IUPACN-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H14N2O/c1-11-4-6-12(7-5-11)9-16-14(17)13-3-2-8-15-10-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyMBVYUJOPDJCFJK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.32
Rot. Bonds3

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

N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 825463) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID825463
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H14N2O/c1-11-4-6-12(7-5-11)9-16-14(17)13-3-2-8-15-10-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyMBVYUJOPDJCFJK-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 825463) is N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is MBVYUJOPDJCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-4-6-12(7-5-11)9-16-14(17)13-3-2-8-15-10-13/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 825463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).