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

C25H24F3N3O4 — CID 134609406

IUPAC2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1
InChIInChI=1S/C25H24F3N3O4/c1-15-2-3-18(30-24(33)16-4-5-29-20(8-16)23(27)28)11-19(15)17-9-21(25(12-26)13-34-14-25)31-22(10-17)35-7-6-32/h2-5,8-11,23,32H,6-7,12-14H2,1H3,(H,30,33)
InChIKeyDJQBPSLTIVOVQZ-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.25
Rot. Bonds9

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

2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 134609406) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID134609406
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Name2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1
InChIInChI=1S/C25H24F3N3O4/c1-15-2-3-18(30-24(33)16-4-5-29-20(8-16)23(27)28)11-19(15)17-9-21(25(12-26)13-34-14-25)31-22(10-17)35-7-6-32/h2-5,8-11,23,32H,6-7,12-14H2,1H3,(H,30,33)
InChIKeyDJQBPSLTIVOVQZ-UHFFFAOYSA-N
XLogP4.25
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 134609406) is 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is DJQBPSLTIVOVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-15-2-3-18(30-24(33)16-4-5-29-20(8-16)23(27)28)11-19(15)17-9-21(25(12-26)13-34-14-25)31-22(10-17)35-7-6-32/h2-5,8-11,23,32H,6-7,12-14H2,1H3,(H,30,33).
What are the key properties of 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 134609406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).