4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane

C18H22ClFN4O — CID 161177971

IUPAC4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
SMILESC.Cc1ccc(NC(=O)N2CCC(F)(c3ncccc3Cl)CC2)nc1
InChIInChI=1S/C17H18ClFN4O.CH4/c1-12-4-5-14(21-11-12)22-16(24)23-9-6-17(19,7-10-23)15-13(18)3-2-8-20-15;/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,22,24);1H4
InChIKeyUSBKVWWHPVQOLJ-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.57
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane

4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane (PubChem CID 161177971) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
PubChem CID161177971
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
SMILESC.Cc1ccc(NC(=O)N2CCC(F)(c3ncccc3Cl)CC2)nc1
InChIInChI=1S/C17H18ClFN4O.CH4/c1-12-4-5-14(21-11-12)22-16(24)23-9-6-17(19,7-10-23)15-13(18)3-2-8-20-15;/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,22,24);1H4
InChIKeyUSBKVWWHPVQOLJ-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane with MolForge

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Related Compounds

4-[3-chloro-5-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-pyridinyl]-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 90380928
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
CID 71165123
methyl N-[4-(3-chloro-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-N'-(4-fluorophenyl)carbamimidothioate
CID 136592617
4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159848702
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[5-(fluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 121399859
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 11461873
4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138994954
N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 158285973
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
CID 159531960
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane (CID 161177971) is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane is C.Cc1ccc(NC(=O)N2CCC(F)(c3ncccc3Cl)CC2)nc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane?
The InChIKey is USBKVWWHPVQOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O.CH4/c1-12-4-5-14(21-11-12)22-16(24)23-9-6-17(19,7-10-23)15-13(18)3-2-8-20-15;/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,22,24);1H4.
What are the key properties of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane?
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane has a molecular weight of 364.85 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane is sourced from PubChem (CID 161177971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).