5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

C21H21N3O2 — CID 109232834

IUPAC5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-15(16-6-4-3-5-7-16)23-21(25)17-12-19(14-22-13-17)24-18-8-10-20(26-2)11-9-18/h3-15,24H,1-2H3,(H,23,25)
InChIKeyZVGNLJHCTIZUGT-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.32
Rot. Bonds6

About 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109232834) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109232834
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-15(16-6-4-3-5-7-16)23-21(25)17-12-19(14-22-13-17)24-18-8-10-20(26-2)11-9-18/h3-15,24H,1-2H3,(H,23,25)
InChIKeyZVGNLJHCTIZUGT-UHFFFAOYSA-N
XLogP4.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
methyl 3-[[5-(1-phenylethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109232851
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109232834) is 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ZVGNLJHCTIZUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(16-6-4-3-5-7-16)23-21(25)17-12-19(14-22-13-17)24-18-8-10-20(26-2)11-9-18/h3-15,24H,1-2H3,(H,23,25).
What are the key properties of 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109232834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).