4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide

C20H21ClFN3O — CID 138687839

IUPAC4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide
SMILESCc1nccc(NC(=O)N2CCC(=Cc3ccc(Cl)cc3F)CC2)c1C
InChIInChI=1S/C20H21ClFN3O/c1-13-14(2)23-8-5-19(13)24-20(26)25-9-6-15(7-10-25)11-16-3-4-17(21)12-18(16)22/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,23,24,26)
InChIKeyQRSQFCBTICONIS-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.20
Rot. Bonds2

About 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide

4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide (PubChem CID 138687839) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide
PubChem CID138687839
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide
SMILESCc1nccc(NC(=O)N2CCC(=Cc3ccc(Cl)cc3F)CC2)c1C
InChIInChI=1S/C20H21ClFN3O/c1-13-14(2)23-8-5-19(13)24-20(26)25-9-6-15(7-10-25)11-16-3-4-17(21)12-18(16)22/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,23,24,26)
InChIKeyQRSQFCBTICONIS-UHFFFAOYSA-N
XLogP5.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide
CID 138608827
4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138630460
N-[(Z)-(1-amino-3-cyanopropylidene)carbamothioyl]-4-[(4-chloro-2-fluorophenyl)methylidene]piperidine-1-carboxamide
CID 145428464
4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide
CID 138608830
4-[(4-chloro-2-fluorophenyl)methylidene]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]piperidine
CID 144761173
N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 66692496
4-[[4-(3-aminopropylamino)-2-fluorophenyl]methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138630466
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
CID 167975602
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 155212140
4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide
CID 153409551
4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 141321235

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide (CID 138687839) is 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide is Cc1nccc(NC(=O)N2CCC(=Cc3ccc(Cl)cc3F)CC2)c1C.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide?
The InChIKey is QRSQFCBTICONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c1-13-14(2)23-8-5-19(13)24-20(26)25-9-6-15(7-10-25)11-16-3-4-17(21)12-18(16)22/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,23,24,26).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide?
4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 138687839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).