N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

C20H25N5O2 — CID 109208668

IUPACN-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3cccc(NC(C)=O)c3)c2)CC1
InChIInChI=1S/C20H25N5O2/c1-3-24-9-11-25(12-10-24)18-7-8-21-19(14-18)20(27)23-17-6-4-5-16(13-17)22-15(2)26/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyWCOAQGDYIWWVIK-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds5

About N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208668) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208668
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3cccc(NC(C)=O)c3)c2)CC1
InChIInChI=1S/C20H25N5O2/c1-3-24-9-11-25(12-10-24)18-7-8-21-19(14-18)20(27)23-17-6-4-5-16(13-17)22-15(2)26/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyWCOAQGDYIWWVIK-UHFFFAOYSA-N
XLogP2.43
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208641
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109208700
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208668) is N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is CCN1CCN(c2ccnc(C(=O)Nc3cccc(NC(C)=O)c3)c2)CC1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is WCOAQGDYIWWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-24-9-11-25(12-10-24)18-7-8-21-19(14-18)20(27)23-17-6-4-5-16(13-17)22-15(2)26/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).