N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C18H19F2N3O — CID 109196527

IUPACN-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3)nc2)C1
InChIInChI=1S/C18H19F2N3O/c1-12-3-2-8-23(11-12)14-5-7-17(21-10-14)18(24)22-13-4-6-15(19)16(20)9-13/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyUBLOMVHDQSTXOA-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.85
Rot. Bonds3

About N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109196527) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109196527
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3)nc2)C1
InChIInChI=1S/C18H19F2N3O/c1-12-3-2-8-23(11-12)14-5-7-17(21-10-14)18(24)22-13-4-6-15(19)16(20)9-13/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyUBLOMVHDQSTXOA-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334018
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196455
N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183526
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-(4-bromo-3-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218278

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109196527) is N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is CC1CCCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3)nc2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is UBLOMVHDQSTXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-12-3-2-8-23(11-12)14-5-7-17(21-10-14)18(24)22-13-4-6-15(19)16(20)9-13/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109196527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).