N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

C25H25F3N4O4 — CID 134609681

IUPACN-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(F)(F)F)cn2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C25H25F3N4O4/c1-15-2-3-18(31-24(34)21-13-30-22(14-29-21)25(26,27)28)12-19(15)17-10-20(16-4-7-35-8-5-16)32-23(11-17)36-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,31,34)
InChIKeyKMUADBSAVIBQDZ-UHFFFAOYSA-N
MW502.49 g/mol
LogP4.38
Rot. Bonds7

About N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 134609681) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID134609681
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC NameN-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(F)(F)F)cn2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C25H25F3N4O4/c1-15-2-3-18(31-24(34)21-13-30-22(14-29-21)25(26,27)28)12-19(15)17-10-20(16-4-7-35-8-5-16)32-23(11-17)36-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,31,34)
InChIKeyKMUADBSAVIBQDZ-UHFFFAOYSA-N
XLogP4.38
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 134609681) is N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(C(F)(F)F)cn2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.
What is the InChIKey of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is KMUADBSAVIBQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-15-2-3-18(31-24(34)21-13-30-22(14-29-21)25(26,27)28)12-19(15)17-10-20(16-4-7-35-8-5-16)32-23(11-17)36-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,31,34).
What are the key properties of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 502.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 134609681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).