2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide

C21H24N4O4 — CID 109084938

IUPAC2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C21H24N4O4/c1-15(26)24-9-11-25(12-10-24)21(28)18-13-16(7-8-22-18)20(27)23-14-17-5-3-4-6-19(17)29-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyKIUQEDGFIIDJLN-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.32
Rot. Bonds5

About 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide

2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109084938) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID109084938
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C21H24N4O4/c1-15(26)24-9-11-25(12-10-24)21(28)18-13-16(7-8-22-18)20(27)23-14-17-5-3-4-6-19(17)29-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyKIUQEDGFIIDJLN-UHFFFAOYSA-N
XLogP1.32
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
4-N-[(2-methoxyphenyl)methyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086804
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084859
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (CID 109084938) is 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is COc1ccccc1CNC(=O)c1ccnc(C(=O)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is KIUQEDGFIIDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-15(26)24-9-11-25(12-10-24)21(28)18-13-16(7-8-22-18)20(27)23-14-17-5-3-4-6-19(17)29-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109084938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).