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

C25H22F2N4O3 — CID 135349192

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H22F2N4O3/c1-33-24-15-29-9-6-19(24)25(32)30-21-12-16(14-28)2-4-22(21)31-10-7-18(8-11-31)34-23-5-3-17(26)13-20(23)27/h2-6,9,12-13,15,18H,7-8,10-11H2,1H3,(H,30,32)
InChIKeyWWUVAOUORYZTRI-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.54
Rot. Bonds6

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

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide (PubChem CID 135349192) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide
PubChem CID135349192
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H22F2N4O3/c1-33-24-15-29-9-6-19(24)25(32)30-21-12-16(14-28)2-4-22(21)31-10-7-18(8-11-31)34-23-5-3-17(26)13-20(23)27/h2-6,9,12-13,15,18H,7-8,10-11H2,1H3,(H,30,32)
InChIKeyWWUVAOUORYZTRI-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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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide (CID 135349192) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=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]-3-methoxypyridine-4-carboxamide?
The InChIKey is WWUVAOUORYZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-33-24-15-29-9-6-19(24)25(32)30-21-12-16(14-28)2-4-22(21)31-10-7-18(8-11-31)34-23-5-3-17(26)13-20(23)27/h2-6,9,12-13,15,18H,7-8,10-11H2,1H3,(H,30,32).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-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-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 135349192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).