4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

C14H13ClN2O2 — CID 7802633

IUPAC4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-19-12-4-2-10(3-5-12)9-17-14(18)13-8-11(15)6-7-16-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyFWNWEOWLCUMCJD-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 7802633) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID7802633
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-19-12-4-2-10(3-5-12)9-17-14(18)13-8-11(15)6-7-16-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyFWNWEOWLCUMCJD-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212161
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
CID 46820321
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 7802633) is 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is FWNWEOWLCUMCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-12-4-2-10(3-5-12)9-17-14(18)13-8-11(15)6-7-16-13/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 7802633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).