5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide

C21H20N4O3 — CID 44529091

IUPAC5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)cnc2N)cc1
InChIInChI=1S/C21H20N4O3/c1-13(26)24-16-5-3-14(4-6-16)15-11-19(20(22)23-12-15)21(27)25-17-7-9-18(28-2)10-8-17/h3-12H,1-2H3,(H2,22,23)(H,24,26)(H,25,27)
InChIKeyWUTPWAGFHKFQCW-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.55
Rot. Bonds5

About 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide

5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 44529091) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID44529091
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)cnc2N)cc1
InChIInChI=1S/C21H20N4O3/c1-13(26)24-16-5-3-14(4-6-16)15-11-19(20(22)23-12-15)21(27)25-17-7-9-18(28-2)10-8-17/h3-12H,1-2H3,(H2,22,23)(H,24,26)(H,25,27)
InChIKeyWUTPWAGFHKFQCW-UHFFFAOYSA-N
XLogP3.55
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzamide
CID 53312066
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
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CID 5328650
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
7-(4-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135489967
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzamide
CID 53312149
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzamide
CID 53312151
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 44529091) is 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)cnc2N)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is WUTPWAGFHKFQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(26)24-16-5-3-14(4-6-16)15-11-19(20(22)23-12-15)21(27)25-17-7-9-18(28-2)10-8-17/h3-12H,1-2H3,(H2,22,23)(H,24,26)(H,25,27).
What are the key properties of 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide?
5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 44529091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).