N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide

C18H19ClFN3O — CID 109183526

IUPACN-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)CC1
InChIInChI=1S/C18H19ClFN3O/c1-12-6-8-23(9-7-12)14-3-5-17(21-11-14)18(24)22-13-2-4-16(20)15(19)10-13/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyVWKHRTPRFKSYDR-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.36
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109183526) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109183526
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)CC1
InChIInChI=1S/C18H19ClFN3O/c1-12-6-8-23(9-7-12)14-3-5-17(21-11-14)18(24)22-13-2-4-16(20)15(19)10-13/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyVWKHRTPRFKSYDR-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196527
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183554
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
CID 90546264
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275297
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
CID 113024830

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109183526) is N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide is CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is VWKHRTPRFKSYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-12-6-8-23(9-7-12)14-3-5-17(21-11-14)18(24)22-13-2-4-16(20)15(19)10-13/h2-5,10-12H,6-9H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109183526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).