N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide

C23H23F2N5O3 — CID 151188052

IUPACN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cnc(C)cc2N2CCC(Oc3ccc(F)cc3F)CC2)cn1
InChIInChI=1S/C23H23F2N5O3/c1-14-9-20(18(11-26-14)29-23(31)19-12-28-22(32-2)13-27-19)30-7-5-16(6-8-30)33-21-4-3-15(24)10-17(21)25/h3-4,9-13,16H,5-8H2,1-2H3,(H,29,31)
InChIKeyNFSPFWOJOPZLOD-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide

N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide (PubChem CID 151188052) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
PubChem CID151188052
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC NameN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cnc(C)cc2N2CCC(Oc3ccc(F)cc3F)CC2)cn1
InChIInChI=1S/C23H23F2N5O3/c1-14-9-20(18(11-26-14)29-23(31)19-12-28-22(32-2)13-27-19)30-7-5-16(6-8-30)33-21-4-3-15(24)10-17(21)25/h3-4,9-13,16H,5-8H2,1-2H3,(H,29,31)
InChIKeyNFSPFWOJOPZLOD-UHFFFAOYSA-N
XLogP3.77
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide (CID 151188052) is N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide is COc1cnc(C(=O)Nc2cnc(C)cc2N2CCC(Oc3ccc(F)cc3F)CC2)cn1.
What is the InChIKey of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide?
The InChIKey is NFSPFWOJOPZLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-14-9-20(18(11-26-14)29-23(31)19-12-28-22(32-2)13-27-19)30-7-5-16(6-8-30)33-21-4-3-15(24)10-17(21)25/h3-4,9-13,16H,5-8H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide?
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 151188052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).