N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide

C24H21F2N5O2 — CID 151869043

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide
SMILESCc1cncc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C24H21F2N5O2/c1-15-13-28-14-21(29-15)24(32)30-20-10-16(12-27)2-4-22(20)31-8-6-18(7-9-31)33-23-5-3-17(25)11-19(23)26/h2-5,10-11,13-14,18H,6-9H2,1H3,(H,30,32)
InChIKeySMHHZIVODDCFSW-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.24
Rot. Bonds5

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide (PubChem CID 151869043) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide
PubChem CID151869043
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide
SMILESCc1cncc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C24H21F2N5O2/c1-15-13-28-14-21(29-15)24(32)30-20-10-16(12-27)2-4-22(20)31-8-6-18(7-9-31)33-23-5-3-17(25)11-19(23)26/h2-5,10-11,13-14,18H,6-9H2,1H3,(H,30,32)
InChIKeySMHHZIVODDCFSW-UHFFFAOYSA-N
XLogP4.24
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.24
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]-6-methylpyrazine-2-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide (CID 151869043) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide is Cc1cncc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)n1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide?
The InChIKey is SMHHZIVODDCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-15-13-28-14-21(29-15)24(32)30-20-10-16(12-27)2-4-22(20)31-8-6-18(7-9-31)33-23-5-3-17(25)11-19(23)26/h2-5,10-11,13-14,18H,6-9H2,1H3,(H,30,32).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 4.24, 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]-6-methylpyrazine-2-carboxamide is sourced from PubChem (CID 151869043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).