5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide

C20H22N4O3 — CID 109104756

IUPAC5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H22N4O3/c1-15(25)23-7-9-24(10-8-23)20(27)18-11-17(13-21-14-18)19(26)22-12-16-5-3-2-4-6-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,22,26)
InChIKeyKNNIKBRYNCOZSX-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.32
Rot. Bonds4

About 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide

5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide (PubChem CID 109104756) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
PubChem CID109104756
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H22N4O3/c1-15(25)23-7-9-24(10-8-23)20(27)18-11-17(13-21-14-18)19(26)22-12-16-5-3-2-4-6-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,22,26)
InChIKeyKNNIKBRYNCOZSX-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

5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109105272
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide (CID 109104756) is 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide is CC(=O)N1CCN(C(=O)c2cncc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide?
The InChIKey is KNNIKBRYNCOZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-15(25)23-7-9-24(10-8-23)20(27)18-11-17(13-21-14-18)19(26)22-12-16-5-3-2-4-6-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,22,26).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide?
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-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 5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide is sourced from PubChem (CID 109104756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).