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

C25H27F2N5O3 — CID 90461060

IUPAC2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C25H27F2N5O3/c1-16-2-3-19(30-25(34)17-4-5-28-21(12-17)24(26)27)15-20(16)18-13-22(29-6-9-33)31-23(14-18)32-7-10-35-11-8-32/h2-5,12-15,24,33H,6-11H2,1H3,(H,29,31)(H,30,34)
InChIKeyFRGRAXZJOUXYJI-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.88
Rot. Bonds8

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

2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90461060) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90461060
Molecular FormulaC25H27F2N5O3
Molecular Weight483.52 g/mol
Exact Mass483.21
IUPAC Name2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C25H27F2N5O3/c1-16-2-3-19(30-25(34)17-4-5-28-21(12-17)24(26)27)15-20(16)18-13-22(29-6-9-33)31-23(14-18)32-7-10-35-11-8-32/h2-5,12-15,24,33H,6-11H2,1H3,(H,29,31)(H,30,34)
InChIKeyFRGRAXZJOUXYJI-UHFFFAOYSA-N
XLogP3.88
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 90461060) is 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is FRGRAXZJOUXYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3/c1-16-2-3-19(30-25(34)17-4-5-28-21(12-17)24(26)27)15-20(16)18-13-22(29-6-9-33)31-23(14-18)32-7-10-35-11-8-32/h2-5,12-15,24,33H,6-11H2,1H3,(H,29,31)(H,30,34).
What are the key properties of 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).