4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide

C25H26ClFN4O — CID 171433736

IUPAC4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cc(CN3CCC(F)CC3)cc(NC(=O)c3cc(Cl)c(C)cn3)c2)cn1
InChIInChI=1S/C25H26ClFN4O/c1-16-13-29-24(12-23(16)26)25(32)30-22-10-18(15-31-7-5-21(27)6-8-31)9-20(11-22)19-4-3-17(2)28-14-19/h3-4,9-14,21H,5-8,15H2,1-2H3,(H,30,32)
InChIKeyOWMCEILDMCCISU-UHFFFAOYSA-N
MW452.96 g/mol
LogP5.60
Rot. Bonds5

About 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide

4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide (PubChem CID 171433736) has the molecular formula C25H26ClFN4O and a molecular weight of 452.96 g/mol. Its IUPAC name is 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide
PubChem CID171433736
Molecular FormulaC25H26ClFN4O
Molecular Weight452.96 g/mol
Exact Mass452.18
IUPAC Name4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cc(CN3CCC(F)CC3)cc(NC(=O)c3cc(Cl)c(C)cn3)c2)cn1
InChIInChI=1S/C25H26ClFN4O/c1-16-13-29-24(12-23(16)26)25(32)30-22-10-18(15-31-7-5-21(27)6-8-31)9-20(11-22)19-4-3-17(2)28-14-19/h3-4,9-14,21H,5-8,15H2,1-2H3,(H,30,32)
InChIKeyOWMCEILDMCCISU-UHFFFAOYSA-N
XLogP5.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.96
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide (CID 171433736) is 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide is Cc1ccc(-c2cc(CN3CCC(F)CC3)cc(NC(=O)c3cc(Cl)c(C)cn3)c2)cn1.
What is the InChIKey of 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
The InChIKey is OWMCEILDMCCISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O/c1-16-13-29-24(12-23(16)26)25(32)30-22-10-18(15-31-7-5-21(27)6-8-31)9-20(11-22)19-4-3-17(2)28-14-19/h3-4,9-14,21H,5-8,15H2,1-2H3,(H,30,32).
What are the key properties of 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide has a molecular weight of 452.96 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 171433736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).