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

C15H16N2O3 — CID 66964231

IUPAC2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cc2ncccc2C(N)=O)cc1OC
InChIInChI=1S/C15H16N2O3/c1-19-13-6-5-10(9-14(13)20-2)8-12-11(15(16)18)4-3-7-17-12/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyPAKOQTPXLYUFRY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.79
Rot. Bonds5

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

2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 66964231) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID66964231
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cc2ncccc2C(N)=O)cc1OC
InChIInChI=1S/C15H16N2O3/c1-19-13-6-5-10(9-14(13)20-2)8-12-11(15(16)18)4-3-7-17-12/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyPAKOQTPXLYUFRY-UHFFFAOYSA-N
XLogP1.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67232650
2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
CID 54192940
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 66848170
bis[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanone
CID 54160091
2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone
CID 166012347
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18111604
2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 151769516

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (CID 66964231) is 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(Cc2ncccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PAKOQTPXLYUFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-13-6-5-10(9-14(13)20-2)8-12-11(15(16)18)4-3-7-17-12/h3-7,9H,8H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66964231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).