6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide

C15H15ClN2O3 — CID 62234893

IUPAC6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(Cl)n2)cc1OC
InChIInChI=1S/C15H15ClN2O3/c1-20-12-7-6-10(8-13(12)21-2)9-17-15(19)11-4-3-5-14(16)18-11/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyAQUZJSYVLKHYJJ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.68
Rot. Bonds5

About 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 62234893) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID62234893
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(Cl)n2)cc1OC
InChIInChI=1S/C15H15ClN2O3/c1-20-12-7-6-10(8-13(12)21-2)9-17-15(19)11-4-3-5-14(16)18-11/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyAQUZJSYVLKHYJJ-UHFFFAOYSA-N
XLogP2.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
2-(4-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309907
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119998901
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (CID 62234893) is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cccc(Cl)n2)cc1OC.
What is the InChIKey of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is AQUZJSYVLKHYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-12-7-6-10(8-13(12)21-2)9-17-15(19)11-4-3-5-14(16)18-11/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62234893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).