2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide

C17H16Cl2N4O2 — CID 47087134

IUPAC2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-11-3-4-14(19)13(10-11)17(25)23-8-6-22(7-9-23)16-12(15(20)24)2-1-5-21-16/h1-5,10H,6-9H2,(H2,20,24)
InChIKeyBUGSYADUIJYEEZ-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.45
Rot. Bonds3

About 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 47087134) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID47087134
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-11-3-4-14(19)13(10-11)17(25)23-8-6-22(7-9-23)16-12(15(20)24)2-1-5-21-16/h1-5,10H,6-9H2,(H2,20,24)
InChIKeyBUGSYADUIJYEEZ-UHFFFAOYSA-N
XLogP2.45
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(8-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131918713
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 47087292
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572
2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 166195430
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 99827339
propan-2-yl 2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469899
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397204

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 47087134) is 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is BUGSYADUIJYEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-11-3-4-14(19)13(10-11)17(25)23-8-6-22(7-9-23)16-12(15(20)24)2-1-5-21-16/h1-5,10H,6-9H2,(H2,20,24).
What are the key properties of 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47087134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).