5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide

C20H23ClN4O2 — CID 120739544

IUPAC5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-13-14(8-9-17(23-13)20(27)24(2)3)19(26)25-11-10-22-12-18(25)15-6-4-5-7-16(15)21/h4-9,18,22H,10-12H2,1-3H3
InChIKeyGJHITLSMZJAEHG-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.53
Rot. Bonds3

About 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide

5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide (PubChem CID 120739544) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
PubChem CID120739544
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-13-14(8-9-17(23-13)20(27)24(2)3)19(26)25-11-10-22-12-18(25)15-6-4-5-7-16(15)21/h4-9,18,22H,10-12H2,1-3H3
InChIKeyGJHITLSMZJAEHG-UHFFFAOYSA-N
XLogP2.53
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
CID 120738567
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 120739904
[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120738157
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120739504
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120738206
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide (CID 120739544) is 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The InChIKey is GJHITLSMZJAEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-13-14(8-9-17(23-13)20(27)24(2)3)19(26)25-11-10-22-12-18(25)15-6-4-5-7-16(15)21/h4-9,18,22H,10-12H2,1-3H3.
What are the key properties of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 120739544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).