4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide

C31H32N4O2 — CID 58396174

IUPAC4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2C)n1
InChIInChI=1S/C31H32N4O2/c1-3-29-32-19-17-27(35-29)26-10-7-18-33-31(26)37-28-16-15-25(20-21(28)2)34-30(36)24-13-11-23(12-14-24)22-8-5-4-6-9-22/h7,10-20,22H,3-6,8-9H2,1-2H3,(H,34,36)
InChIKeyCUGXJWJQXAFUKU-UHFFFAOYSA-N
MW492.62 g/mol
LogP7.50
Rot. Bonds7

About 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide

4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide (PubChem CID 58396174) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide
PubChem CID58396174
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC Name4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2C)n1
InChIInChI=1S/C31H32N4O2/c1-3-29-32-19-17-27(35-29)26-10-7-18-33-31(26)37-28-16-15-25(20-21(28)2)34-30(36)24-13-11-23(12-14-24)22-8-5-4-6-9-22/h7,10-20,22H,3-6,8-9H2,1-2H3,(H,34,36)
InChIKeyCUGXJWJQXAFUKU-UHFFFAOYSA-N
XLogP7.50
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
CID 58396397
N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide
CID 58396408
N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-4-(2-morpholin-4-ylethylamino)-3-(trifluoromethyl)benzamide
CID 58396995
2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide
CID 58397028
1-cyclopropyl-3-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58588254
2-(cyclopropylmethylamino)-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridine-3-carboxamide
CID 58396445
1-ethyl-3-[3-methyl-4-[[3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58396305
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea
CID 58396205
1-[3-chloro-2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58397021
1-(3-ethylphenyl)-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58396292
3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-methylbenzamide
CID 58397297
1-(4-tert-butylphenyl)-3-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58588545

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide (CID 58396174) is 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide is CCc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2C)n1.
What is the InChIKey of 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide?
The InChIKey is CUGXJWJQXAFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-3-29-32-19-17-27(35-29)26-10-7-18-33-31(26)37-28-16-15-25(20-21(28)2)34-30(36)24-13-11-23(12-14-24)22-8-5-4-6-9-22/h7,10-20,22H,3-6,8-9H2,1-2H3,(H,34,36).
What are the key properties of 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide?
4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide has a molecular weight of 492.62 g/mol, XLogP of 7.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide is sourced from PubChem (CID 58396174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).