2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide

C22H23N3O3 — CID 109170096

IUPAC2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NC(C)c3ccccc3)ccn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15(16-7-5-4-6-8-16)24-22(26)17-11-12-23-21(13-17)25-18-9-10-19(27-2)20(14-18)28-3/h4-15H,1-3H3,(H,23,25)(H,24,26)
InChIKeyWODSGCZINCLMEN-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.33
Rot. Bonds7

About 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide

2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 109170096) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID109170096
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NC(C)c3ccccc3)ccn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15(16-7-5-4-6-8-16)24-22(26)17-11-12-23-21(13-17)25-18-9-10-19(27-2)20(14-18)28-3/h4-15H,1-3H3,(H,23,25)(H,24,26)
InChIKeyWODSGCZINCLMEN-UHFFFAOYSA-N
XLogP4.33
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170111
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide (CID 109170096) is 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide is COc1ccc(Nc2cc(C(=O)NC(C)c3ccccc3)ccn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is WODSGCZINCLMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(16-7-5-4-6-8-16)24-22(26)17-11-12-23-21(13-17)25-18-9-10-19(27-2)20(14-18)28-3/h4-15H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).