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

C26H28F2N4O4 — CID 90461245

IUPACN-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OC(F)F)c(N2CCOCC2)c1
InChIInChI=1S/C26H28F2N4O4/c1-16-4-5-19(31-23(33)17-6-7-29-22(13-17)26(2,3)34)14-20(16)18-12-21(32-8-10-35-11-9-32)24(30-15-18)36-25(27)28/h4-7,12-15,25,34H,8-11H2,1-3H3,(H,31,33)
InChIKeyUIDLNSPVAIBRJS-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.37
Rot. Bonds7

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

N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide (PubChem CID 90461245) has the molecular formula C26H28F2N4O4 and a molecular weight of 498.53 g/mol. Its IUPAC name is N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
PubChem CID90461245
Molecular FormulaC26H28F2N4O4
Molecular Weight498.53 g/mol
Exact Mass498.21
IUPAC NameN-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OC(F)F)c(N2CCOCC2)c1
InChIInChI=1S/C26H28F2N4O4/c1-16-4-5-19(31-23(33)17-6-7-29-22(13-17)26(2,3)34)14-20(16)18-12-21(32-8-10-35-11-9-32)24(30-15-18)36-25(27)28/h4-7,12-15,25,34H,8-11H2,1-3H3,(H,31,33)
InChIKeyUIDLNSPVAIBRJS-UHFFFAOYSA-N
XLogP4.37
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide (CID 90461245) is N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OC(F)F)c(N2CCOCC2)c1.
What is the InChIKey of N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?
The InChIKey is UIDLNSPVAIBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O4/c1-16-4-5-19(31-23(33)17-6-7-29-22(13-17)26(2,3)34)14-20(16)18-12-21(32-8-10-35-11-9-32)24(30-15-18)36-25(27)28/h4-7,12-15,25,34H,8-11H2,1-3H3,(H,31,33).
What are the key properties of N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?
N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 90461245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).