3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide

C26H28F2N4O3 — CID 90461531

IUPAC3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F2N4O3/c1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32/h2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34)
InChIKeyOEQUIGXPHVTTNQ-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.49
Rot. Bonds8

About 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide

3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide (PubChem CID 90461531) has the molecular formula C26H28F2N4O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide
PubChem CID90461531
Molecular FormulaC26H28F2N4O3
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F2N4O3/c1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32/h2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34)
InChIKeyOEQUIGXPHVTTNQ-UHFFFAOYSA-N
XLogP4.49
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide (CID 90461531) is 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide?
The InChIKey is OEQUIGXPHVTTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O3/c1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32/h2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34).
What are the key properties of 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide?
3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide has a molecular weight of 482.53 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide is sourced from PubChem (CID 90461531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).