5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide

C19H24N2O3 — CID 46114981

IUPAC5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCCC(C)C)c2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-13(2)7-8-21-19(22)16-9-15(11-20-12-16)14-5-6-17(23-3)18(10-14)24-4/h5-6,9-13H,7-8H2,1-4H3,(H,21,22)
InChIKeyDVTFOSKAASZEHI-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.54
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 46114981) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID46114981
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCCC(C)C)c2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-13(2)7-8-21-19(22)16-9-15(11-20-12-16)14-5-6-17(23-3)18(10-14)24-4/h5-6,9-13H,7-8H2,1-4H3,(H,21,22)
InChIKeyDVTFOSKAASZEHI-UHFFFAOYSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 42845914
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
CID 119498518
5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 46033058
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
2-[[5-[3-(3-aminobutanoylamino)-4-methoxyphenyl]pyridine-3-carbonyl]amino]ethyl nitrate;dihydrochloride
CID 14769968

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide (CID 46114981) is 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide is COc1ccc(-c2cncc(C(=O)NCCC(C)C)c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is DVTFOSKAASZEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)7-8-21-19(22)16-9-15(11-20-12-16)14-5-6-17(23-3)18(10-14)24-4/h5-6,9-13H,7-8H2,1-4H3,(H,21,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 46114981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).