4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide

C20H22N4O3 — CID 109084853

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H22N4O3/c1-15(25)23-9-11-24(12-10-23)20(27)17-7-8-21-18(13-17)19(26)22-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyYUGBPPYQRVKDOS-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.32
Rot. Bonds4

About 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide (PubChem CID 109084853) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
PubChem CID109084853
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H22N4O3/c1-15(25)23-9-11-24(12-10-23)20(27)17-7-8-21-18(13-17)19(26)22-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyYUGBPPYQRVKDOS-UHFFFAOYSA-N
XLogP1.32
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084859
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide (CID 109084853) is 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide is CC(=O)N1CCN(C(=O)c2ccnc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide?
The InChIKey is YUGBPPYQRVKDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-15(25)23-9-11-24(12-10-23)20(27)17-7-8-21-18(13-17)19(26)22-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,26).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide is sourced from PubChem (CID 109084853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).