N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide

C16H19N3O2 — CID 109223486

IUPACN-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NC(C)C)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(2)18-14-8-12(9-17-10-14)16(20)19-13-4-6-15(21-3)7-5-13/h4-11,18H,1-3H3,(H,19,20)
InChIKeyBQNTYKKJPIAXCA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.16
Rot. Bonds5

About N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide

N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 109223486) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID109223486
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NC(C)C)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(2)18-14-8-12(9-17-10-14)16(20)19-13-4-6-15(21-3)7-5-13/h4-11,18H,1-3H3,(H,19,20)
InChIKeyBQNTYKKJPIAXCA-UHFFFAOYSA-N
XLogP3.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109223529
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
5-(2-chloroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244426
5-(2,6-diethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243967
5-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244174
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243833
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide (CID 109223486) is N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(NC(C)C)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is BQNTYKKJPIAXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)18-14-8-12(9-17-10-14)16(20)19-13-4-6-15(21-3)7-5-13/h4-11,18H,1-3H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide?
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109223486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).