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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Related Compounds

N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90409579
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
2-[5-[2-Methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-ylpyridin-2-yl]oxyethyl dihydrogen phosphate
CID 118938861
N-[5-(5-amino-2-pyridinyl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 156019009
N-[3-[5-(2-hydroxyethyl)-4-oxospiro[3H-1,5-benzoxazepine-2,4'-oxane]-8-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166636260
N-[5-[6-[(3S,4S)-3-methoxyoxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118887129
N-[3-(2-methoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295254
N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408059

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).