2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

C25H26F2N4O4 — CID 118887132

IUPAC2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C25H26F2N4O4/c1-16-2-3-19(30-24(33)17-4-5-28-21(12-17)23(26)27)14-20(16)18-13-22(31-6-9-34-10-7-31)25(29-15-18)35-11-8-32/h2-5,12-15,23,32H,6-11H2,1H3,(H,30,33)
InChIKeyJGVIEAHABVWIRZ-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.85
Rot. Bonds8

About 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 118887132) has the molecular formula C25H26F2N4O4 and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID118887132
Molecular FormulaC25H26F2N4O4
Molecular Weight484.50 g/mol
Exact Mass484.19
IUPAC Name2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C25H26F2N4O4/c1-16-2-3-19(30-24(33)17-4-5-28-21(12-17)23(26)27)14-20(16)18-13-22(31-6-9-34-10-7-31)25(29-15-18)35-11-8-32/h2-5,12-15,23,32H,6-11H2,1H3,(H,30,33)
InChIKeyJGVIEAHABVWIRZ-UHFFFAOYSA-N
XLogP3.85
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 118887132) is 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is JGVIEAHABVWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O4/c1-16-2-3-19(30-24(33)17-4-5-28-21(12-17)23(26)27)14-20(16)18-13-22(31-6-9-34-10-7-31)25(29-15-18)35-11-8-32/h2-5,12-15,23,32H,6-11H2,1H3,(H,30,33).
What are the key properties of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 118887132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).