1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H22ClFN4O3 — CID 55813946

IUPAC1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3c(-c4c(F)cccc4Cl)noc3C)C2)n1
InChIInChI=1S/C23H22ClFN4O3/c1-13-6-3-10-18(26-13)27-22(30)15-7-5-11-29(12-15)23(31)19-14(2)32-28-21(19)20-16(24)8-4-9-17(20)25/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3,(H,26,27,30)
InChIKeyMQLVKKWWHQTSFY-UHFFFAOYSA-N
MW456.91 g/mol
LogP4.64
Rot. Bonds4

About 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55813946) has the molecular formula C23H22ClFN4O3 and a molecular weight of 456.91 g/mol. Its IUPAC name is 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55813946
Molecular FormulaC23H22ClFN4O3
Molecular Weight456.91 g/mol
Exact Mass456.14
IUPAC Name1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3c(-c4c(F)cccc4Cl)noc3C)C2)n1
InChIInChI=1S/C23H22ClFN4O3/c1-13-6-3-10-18(26-13)27-22(30)15-7-5-11-29(12-15)23(31)19-14(2)32-28-21(19)20-16(24)8-4-9-17(20)25/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3,(H,26,27,30)
InChIKeyMQLVKKWWHQTSFY-UHFFFAOYSA-N
XLogP4.64
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 52726149
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561124
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 34342771
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 95269639
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 119480892
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 120660254

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55813946) is 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)c3c(-c4c(F)cccc4Cl)noc3C)C2)n1.
What is the InChIKey of 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is MQLVKKWWHQTSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O3/c1-13-6-3-10-18(26-13)27-22(30)15-7-5-11-29(12-15)23(31)19-14(2)32-28-21(19)20-16(24)8-4-9-17(20)25/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3,(H,26,27,30).
What are the key properties of 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 456.91 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55813946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).