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

C25H23F2N5O2 — CID 151002584

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C)n1
InChIInChI=1S/C25H23F2N5O2/c1-15-14-29-24(16(2)30-15)25(33)31-21-11-17(13-28)3-5-22(21)32-9-7-19(8-10-32)34-23-6-4-18(26)12-20(23)27/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,31,33)
InChIKeyLUKPBHSFDLYBBY-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.54
Rot. Bonds5

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

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide (PubChem CID 151002584) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide
PubChem CID151002584
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C)n1
InChIInChI=1S/C25H23F2N5O2/c1-15-14-29-24(16(2)30-15)25(33)31-21-11-17(13-28)3-5-22(21)32-9-7-19(8-10-32)34-23-6-4-18(26)12-20(23)27/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,31,33)
InChIKeyLUKPBHSFDLYBBY-UHFFFAOYSA-N
XLogP4.54
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
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]-3,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide (CID 151002584) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C)n1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide?
The InChIKey is LUKPBHSFDLYBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-15-14-29-24(16(2)30-15)25(33)31-21-11-17(13-28)3-5-22(21)32-9-7-19(8-10-32)34-23-6-4-18(26)12-20(23)27/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,31,33).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 4.54, 5 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]-3,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 151002584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).