N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide

C26H24N4O2 — CID 46327267

IUPACN-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1
InChIInChI=1S/C26H24N4O2/c1-3-32-24-10-5-4-9-22(24)30-26(31)19-11-13-21(14-12-19)29-25-16-23(27-17-28-25)20-8-6-7-18(2)15-20/h4-17H,3H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyFKPBXKYOZYRYMK-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.85
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46327267) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46327267
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1
InChIInChI=1S/C26H24N4O2/c1-3-32-24-10-5-4-9-22(24)30-26(31)19-11-13-21(14-12-19)29-25-16-23(27-17-28-25)20-8-6-7-18(2)15-20/h4-17H,3H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyFKPBXKYOZYRYMK-UHFFFAOYSA-N
XLogP5.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322363
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
CID 11209329
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46327284
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 46327267) is N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is CCOc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is FKPBXKYOZYRYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-3-32-24-10-5-4-9-22(24)30-26(31)19-11-13-21(14-12-19)29-25-16-23(27-17-28-25)20-8-6-7-18(2)15-20/h4-17H,3H2,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 424.50 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46327267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).