2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide

C21H24N4O2 — CID 126770760

IUPAC2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C21H24N4O2/c22-18(26)17-8-4-11-23-19(17)24-12-14-25(15-13-24)20(27)21(9-5-10-21)16-6-2-1-3-7-16/h1-4,6-8,11H,5,9-10,12-15H2,(H2,22,26)
InChIKeyRBXMRFQPTDVDOL-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.95
Rot. Bonds4

About 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 126770760) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID126770760
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C21H24N4O2/c22-18(26)17-8-4-11-23-19(17)24-12-14-25(15-13-24)20(27)21(9-5-10-21)16-6-2-1-3-7-16/h1-4,6-8,11H,5,9-10,12-15H2,(H2,22,26)
InChIKeyRBXMRFQPTDVDOL-UHFFFAOYSA-N
XLogP1.95
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 34004993
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
CID 110436569
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78829171

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 126770760) is 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1.
What is the InChIKey of 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is RBXMRFQPTDVDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-18(26)17-8-4-11-23-19(17)24-12-14-25(15-13-24)20(27)21(9-5-10-21)16-6-2-1-3-7-16/h1-4,6-8,11H,5,9-10,12-15H2,(H2,22,26).
What are the key properties of 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 126770760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).