N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide

C26H24N4O4 — CID 174385811

IUPACN-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2CNc2cccc(NC(=O)c3ccccc3)c2)n1
InChIInChI=1S/C26H24N4O4/c1-32-23-16-24(33-2)30-26(29-23)34-22-14-7-6-11-19(22)17-27-20-12-8-13-21(15-20)28-25(31)18-9-4-3-5-10-18/h3-16,27H,17H2,1-2H3,(H,28,31)
InChIKeyCEGDWSBPQPYHFF-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.15
Rot. Bonds9

About N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide

N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide (PubChem CID 174385811) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide
PubChem CID174385811
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2CNc2cccc(NC(=O)c3ccccc3)c2)n1
InChIInChI=1S/C26H24N4O4/c1-32-23-16-24(33-2)30-26(29-23)34-22-14-7-6-11-19(22)17-27-20-12-8-13-21(15-20)28-25(31)18-9-4-3-5-10-18/h3-16,27H,17H2,1-2H3,(H,28,31)
InChIKeyCEGDWSBPQPYHFF-UHFFFAOYSA-N
XLogP5.15
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
CID 5018775
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109171161
N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 3867896
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide
CID 99833568
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide (CID 174385811) is N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide is COc1cc(OC)nc(Oc2ccccc2CNc2cccc(NC(=O)c3ccccc3)c2)n1.
What is the InChIKey of N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide?
The InChIKey is CEGDWSBPQPYHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-32-23-16-24(33-2)30-26(29-23)34-22-14-7-6-11-19(22)17-27-20-12-8-13-21(15-20)28-25(31)18-9-4-3-5-10-18/h3-16,27H,17H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide?
N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide has a molecular weight of 456.50 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide is sourced from PubChem (CID 174385811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).