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

C24H22F3N3O4 — CID 135133232

IUPAC2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-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(F)COC2)c1
InChIInChI=1S/C24H22F3N3O4/c1-14-2-3-17(29-23(32)15-4-5-28-19(8-15)22(25)26)11-18(14)16-9-20(24(27)12-33-13-24)30-21(10-16)34-7-6-31/h2-5,8-11,22,31H,6-7,12-13H2,1H3,(H,29,32)
InChIKeyWAADUDOSFDBOKG-UHFFFAOYSA-N
MW473.45 g/mol
LogP4.21
Rot. Bonds8

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

2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 135133232) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID135133232
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Name2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-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(F)COC2)c1
InChIInChI=1S/C24H22F3N3O4/c1-14-2-3-17(29-23(32)15-4-5-28-19(8-15)22(25)26)11-18(14)16-9-20(24(27)12-33-13-24)30-21(10-16)34-7-6-31/h2-5,8-11,22,31H,6-7,12-13H2,1H3,(H,29,32)
InChIKeyWAADUDOSFDBOKG-UHFFFAOYSA-N
XLogP4.21
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.21
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-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 135133232) is 2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-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(F)COC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is WAADUDOSFDBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-14-2-3-17(29-23(32)15-4-5-28-19(8-15)22(25)26)11-18(14)16-9-20(24(27)12-33-13-24)30-21(10-16)34-7-6-31/h2-5,8-11,22,31H,6-7,12-13H2,1H3,(H,29,32).
What are the key properties of 2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[3-[2-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 473.45 g/mol, XLogP of 4.21, 8 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-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 135133232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).