5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide

C25H25ClFN3O2 — CID 44526657

IUPAC5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide
SMILESCc1cc(OCC2CCN(c3ncc(C(=O)Nc4ccccc4)cc3Cl)CC2)ccc1F
InChIInChI=1S/C25H25ClFN3O2/c1-17-13-21(7-8-23(17)27)32-16-18-9-11-30(12-10-18)24-22(26)14-19(15-28-24)25(31)29-20-5-3-2-4-6-20/h2-8,13-15,18H,9-12,16H2,1H3,(H,29,31)
InChIKeyWNWFQHGFAYOLPU-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.73
Rot. Bonds6

About 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide

5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide (PubChem CID 44526657) has the molecular formula C25H25ClFN3O2 and a molecular weight of 453.95 g/mol. Its IUPAC name is 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide
PubChem CID44526657
Molecular FormulaC25H25ClFN3O2
Molecular Weight453.95 g/mol
Exact Mass453.16
IUPAC Name5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide
SMILESCc1cc(OCC2CCN(c3ncc(C(=O)Nc4ccccc4)cc3Cl)CC2)ccc1F
InChIInChI=1S/C25H25ClFN3O2/c1-17-13-21(7-8-23(17)27)32-16-18-9-11-30(12-10-18)24-22(26)14-19(15-28-24)25(31)29-20-5-3-2-4-6-20/h2-8,13-15,18H,9-12,16H2,1H3,(H,29,31)
InChIKeyWNWFQHGFAYOLPU-UHFFFAOYSA-N
XLogP5.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide (CID 44526657) is 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide is Cc1cc(OCC2CCN(c3ncc(C(=O)Nc4ccccc4)cc3Cl)CC2)ccc1F.
What is the InChIKey of 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide?
The InChIKey is WNWFQHGFAYOLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O2/c1-17-13-21(7-8-23(17)27)32-16-18-9-11-30(12-10-18)24-22(26)14-19(15-28-24)25(31)29-20-5-3-2-4-6-20/h2-8,13-15,18H,9-12,16H2,1H3,(H,29,31).
What are the key properties of 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide?
5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 44526657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).