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

C25H22F2N4O3 — CID 151702106

IUPACN-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccncc1C(=O)Nc1ccc(C#N)cc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H22F2N4O3/c1-33-23-6-9-29-15-19(23)25(32)30-21-4-2-16(14-28)12-22(21)31-10-7-18(8-11-31)34-24-5-3-17(26)13-20(24)27/h2-6,9,12-13,15,18H,7-8,10-11H2,1H3,(H,30,32)
InChIKeyREVCEICGRIRKIK-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.54
Rot. Bonds6

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

N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 151702106) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
PubChem CID151702106
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC NameN-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccncc1C(=O)Nc1ccc(C#N)cc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H22F2N4O3/c1-33-23-6-9-29-15-19(23)25(32)30-21-4-2-16(14-28)12-22(21)31-10-7-18(8-11-31)34-24-5-3-17(26)13-20(24)27/h2-6,9,12-13,15,18H,7-8,10-11H2,1H3,(H,30,32)
InChIKeyREVCEICGRIRKIK-UHFFFAOYSA-N
XLogP4.54
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 150407559
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4,5-difluoro-2-methoxybenzamide
CID 151568344
3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide
CID 150558628
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 135349309
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide
CID 151939823
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 148777956
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile
CID 168866228
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(2-methyl-2H-1,3-oxazol-3-yl)benzonitrile
CID 168866242
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(2-methyl-2H-pyrimidin-1-yl)benzonitrile
CID 168866224
methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
CID 150983150
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide
CID 175415559
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(5-methyl-2H-1,3-oxazol-3-yl)benzonitrile
CID 168866230

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide (CID 151702106) is N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide is COc1ccncc1C(=O)Nc1ccc(C#N)cc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide?
The InChIKey is REVCEICGRIRKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-33-23-6-9-29-15-19(23)25(32)30-21-4-2-16(14-28)12-22(21)31-10-7-18(8-11-31)34-24-5-3-17(26)13-20(24)27/h2-6,9,12-13,15,18H,7-8,10-11H2,1H3,(H,30,32).
What are the key properties of N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide?
N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 151702106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).