N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

C27H26F2N4O3 — CID 135349309

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 135349309) has the molecular formula C27H26F2N4O3 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 135349309
• Molecular Formula: C27H26F2N4O3
• Molecular Weight: 492.53 g/mol
• Exact Mass: 492.20
• IUPAC Name: N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
• SMILES: CC(C)n1cccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c1=O
• InChI: InChI=1S/C27H26F2N4O3/c1-17(2)33-11-3-4-21(27(33)35)26(34)31-23-14-18(16-30)5-7-24(23)32-12-9-20(10-13-32)36-25-8-6-19(28)15-22(25)29/h3-8,11,14-15,17,20H,9-10,12-13H2,1-2H3,(H,31,34)
• InChIKey: JCMOCENFFULVGB-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 87.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 135349309) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c1=O.

What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?

The InChIKey is JCMOCENFFULVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O3/c1-17(2)33-11-3-4-21(27(33)35)26(34)31-23-14-18(16-30)5-7-24(23)32-12-9-20(10-13-32)36-25-8-6-19(28)15-22(25)29/h3-8,11,14-15,17,20H,9-10,12-13H2,1-2H3,(H,31,34).

What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 135349309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).