(2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide

C18H16ClF2N3O2 — CID 97018304

IUPAC(2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C18H16ClF2N3O2/c19-16-7-11(4-5-22-16)18(26)24-6-2-1-3-15(24)17(25)23-14-9-12(20)8-13(21)10-14/h4-5,7-10,15H,1-3,6H2,(H,23,25)/t15-/m1/s1
InChIKeyYWQYKNLPSIFIBB-OAHLLOKOSA-N
MW379.79 g/mol
LogP3.65
Rot. Bonds3

About (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide

(2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide (PubChem CID 97018304) has the molecular formula C18H16ClF2N3O2 and a molecular weight of 379.79 g/mol. Its IUPAC name is (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide
PubChem CID97018304
Molecular FormulaC18H16ClF2N3O2
Molecular Weight379.79 g/mol
Exact Mass379.09
IUPAC Name(2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C18H16ClF2N3O2/c19-16-7-11(4-5-22-16)18(26)24-6-2-1-3-15(24)17(25)23-14-9-12(20)8-13(21)10-14/h4-5,7-10,15H,1-3,6H2,(H,23,25)/t15-/m1/s1
InChIKeyYWQYKNLPSIFIBB-OAHLLOKOSA-N
XLogP3.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 167748566
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide (CID 97018304) is (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide is O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1.
What is the InChIKey of (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide?
The InChIKey is YWQYKNLPSIFIBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2/c19-16-7-11(4-5-22-16)18(26)24-6-2-1-3-15(24)17(25)23-14-9-12(20)8-13(21)10-14/h4-5,7-10,15H,1-3,6H2,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide?
(2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide has a molecular weight of 379.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 97018304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).