N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

C21H26N4O3 — CID 109084493

IUPACN-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C(=O)N3CCN(CC)CC3)ccn2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-24-11-13-25(14-12-24)21(27)16-9-10-22-19(15-16)20(26)23-17-5-7-18(8-6-17)28-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)
InChIKeyMSODXSIQVZICNY-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.51
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109084493) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109084493
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C(=O)N3CCN(CC)CC3)ccn2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-24-11-13-25(14-12-24)21(27)16-9-10-22-19(15-16)20(26)23-17-5-7-18(8-6-17)28-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)
InChIKeyMSODXSIQVZICNY-UHFFFAOYSA-N
XLogP2.51
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
4-(4-ethylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109084521
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109084898
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109154844

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109084493) is N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cc(C(=O)N3CCN(CC)CC3)ccn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is MSODXSIQVZICNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-24-11-13-25(14-12-24)21(27)16-9-10-22-19(15-16)20(26)23-17-5-7-18(8-6-17)28-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).