N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide

C21H24N4O3 — CID 136519238

IUPACN-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-15(2)23-19(26)16-5-7-17(8-6-16)20(27)24-10-12-25(13-11-24)21(28)18-4-3-9-22-14-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)
InChIKeyOGQWHUMZEXCCLN-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.82
Rot. Bonds4

About N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide

N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide (PubChem CID 136519238) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
PubChem CID136519238
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-15(2)23-19(26)16-5-7-17(8-6-16)20(27)24-10-12-25(13-11-24)21(28)18-4-3-9-22-14-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)
InChIKeyOGQWHUMZEXCCLN-UHFFFAOYSA-N
XLogP1.82
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(4-propan-2-ylsulfanylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802950
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
5-[4-[4-[3-(dimethylamino)benzoyl]piperazine-1-carbonyl]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 122394905
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
(4-propoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808477
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide?
The IUPAC name of N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide (CID 136519238) is N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide?
The canonical SMILES for N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide is CC(C)NC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide?
The InChIKey is OGQWHUMZEXCCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(2)23-19(26)16-5-7-17(8-6-16)20(27)24-10-12-25(13-11-24)21(28)18-4-3-9-22-14-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide?
N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 136519238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).