N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide

C25H21F3N4O3 — CID 151603186

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H21F3N4O3/c1-34-25-19(11-17(27)14-30-25)24(33)31-21-10-15(13-29)2-4-22(21)32-8-6-18(7-9-32)35-23-5-3-16(26)12-20(23)28/h2-5,10-12,14,18H,6-9H2,1H3,(H,31,33)
InChIKeyQKXOTBITOVSPLA-UHFFFAOYSA-N
MW482.46 g/mol
LogP4.68
Rot. Bonds6

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide (PubChem CID 151603186) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide
PubChem CID151603186
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H21F3N4O3/c1-34-25-19(11-17(27)14-30-25)24(33)31-21-10-15(13-29)2-4-22(21)32-8-6-18(7-9-32)35-23-5-3-16(26)12-20(23)28/h2-5,10-12,14,18H,6-9H2,1H3,(H,31,33)
InChIKeyQKXOTBITOVSPLA-UHFFFAOYSA-N
XLogP4.68
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide (CID 151603186) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide is COc1ncc(F)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The InChIKey is QKXOTBITOVSPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-34-25-19(11-17(27)14-30-25)24(33)31-21-10-15(13-29)2-4-22(21)32-8-6-18(7-9-32)35-23-5-3-16(26)12-20(23)28/h2-5,10-12,14,18H,6-9H2,1H3,(H,31,33).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoro-2-methoxypyridine-3-carboxamide has a molecular weight of 482.46 g/mol, XLogP of 4.68, 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]-5-fluoro-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 151603186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).