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

C25H22F2N4O2 — CID 135349182

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C25H22F2N4O2/c1-16-2-5-21(29-15-16)25(32)30-22-12-17(14-28)3-6-23(22)31-10-8-19(9-11-31)33-24-7-4-18(26)13-20(24)27/h2-7,12-13,15,19H,8-11H2,1H3,(H,30,32)
InChIKeyXVNSZIDLFBVXQN-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.84
Rot. Bonds5

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

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide (PubChem CID 135349182) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide
PubChem CID135349182
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C25H22F2N4O2/c1-16-2-5-21(29-15-16)25(32)30-22-12-17(14-28)3-6-23(22)31-10-8-19(9-11-31)33-24-7-4-18(26)13-20(24)27/h2-7,12-13,15,19H,8-11H2,1H3,(H,30,32)
InChIKeyXVNSZIDLFBVXQN-UHFFFAOYSA-N
XLogP4.84
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide (CID 135349182) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)nc1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide?
The InChIKey is XVNSZIDLFBVXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-16-2-5-21(29-15-16)25(32)30-22-12-17(14-28)3-6-23(22)31-10-8-19(9-11-31)33-24-7-4-18(26)13-20(24)27/h2-7,12-13,15,19H,8-11H2,1H3,(H,30,32).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyridine-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylpyridine-2-carboxamide is sourced from PubChem (CID 135349182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).