5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide

C17H20N2O3 — CID 42845920

IUPAC5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H20N2O3/c1-4-7-19-17(20)14-8-13(10-18-11-14)12-5-6-15(21-2)16(9-12)22-3/h5-6,8-11H,4,7H2,1-3H3,(H,19,20)
InChIKeyVDKNGONLLQDJOR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.91
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide (PubChem CID 42845920) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
PubChem CID42845920
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H20N2O3/c1-4-7-19-17(20)14-8-13(10-18-11-14)12-5-6-15(21-2)16(9-12)22-3/h5-6,8-11H,4,7H2,1-3H3,(H,19,20)
InChIKeyVDKNGONLLQDJOR-UHFFFAOYSA-N
XLogP2.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 46114981
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 42845914
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 46033058
5-N-(2,4-dimethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101267
N-propyl-5-thiophen-2-ylpyridine-3-carboxamide
CID 117083319
5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
CID 42845804

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide (CID 42845920) is 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(-c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide?
The InChIKey is VDKNGONLLQDJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-7-19-17(20)14-8-13(10-18-11-14)12-5-6-15(21-2)16(9-12)22-3/h5-6,8-11H,4,7H2,1-3H3,(H,19,20).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.91, 6 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-propylpyridine-3-carboxamide is sourced from PubChem (CID 42845920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).