3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide

C28H26N4O4 — CID 46386528

IUPAC3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(N5CCOCC5)cc4)c3)n2)cc1
InChIInChI=1S/C28H26N4O4/c1-34-24-9-11-25(12-10-24)36-26-13-14-29-27(31-26)20-3-2-4-21(19-20)28(33)30-22-5-7-23(8-6-22)32-15-17-35-18-16-32/h2-14,19H,15-18H2,1H3,(H,30,33)
InChIKeyQBZXCWADFULCOQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.03
Rot. Bonds7

About 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide

3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 46386528) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID46386528
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(N5CCOCC5)cc4)c3)n2)cc1
InChIInChI=1S/C28H26N4O4/c1-34-24-9-11-25(12-10-24)36-26-13-14-29-27(31-26)20-3-2-4-21(19-20)28(33)30-22-5-7-23(8-6-22)32-15-17-35-18-16-32/h2-14,19H,15-18H2,1H3,(H,30,33)
InChIKeyQBZXCWADFULCOQ-UHFFFAOYSA-N
XLogP5.03
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386531
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide (CID 46386528) is 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide is COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(N5CCOCC5)cc4)c3)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is QBZXCWADFULCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-34-24-9-11-25(12-10-24)36-26-13-14-29-27(31-26)20-3-2-4-21(19-20)28(33)30-22-5-7-23(8-6-22)32-15-17-35-18-16-32/h2-14,19H,15-18H2,1H3,(H,30,33).
What are the key properties of 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 482.54 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 46386528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).