N-(3,5-dimethylphenyl)pyridine-3-carboxamide

C14H14N2O — CID 668894

IUPACN-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O/c1-10-6-11(2)8-13(7-10)16-14(17)12-4-3-5-15-9-12/h3-9H,1-2H3,(H,16,17)
InChIKeyRYZRCDYCHWUZLX-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.95
Rot. Bonds2

About N-(3,5-dimethylphenyl)pyridine-3-carboxamide

N-(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 668894) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID668894
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O/c1-10-6-11(2)8-13(7-10)16-14(17)12-4-3-5-15-9-12/h3-9H,1-2H3,(H,16,17)
InChIKeyRYZRCDYCHWUZLX-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 668894) is N-(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is RYZRCDYCHWUZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-6-11(2)8-13(7-10)16-14(17)12-4-3-5-15-9-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 668894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).