N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide

C15H16N2O3 — CID 110860588

IUPACN-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccn2)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-10-6-7-16-13(8-10)15(18)17-12-5-4-11(19-2)9-14(12)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeySOKVGJHPBDCWCO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.66
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide

N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide (PubChem CID 110860588) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
PubChem CID110860588
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccn2)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-10-6-7-16-13(8-10)15(18)17-12-5-4-11(19-2)9-14(12)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeySOKVGJHPBDCWCO-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide (CID 110860588) is N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(C)ccn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide?
The InChIKey is SOKVGJHPBDCWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-6-7-16-13(8-10)15(18)17-12-5-4-11(19-2)9-14(12)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 110860588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).