N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide

C26H24N4O3 — CID 50826585

IUPACN-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-17-7-9-18(10-8-17)20-15-27-26(28-16-20)30-21-6-4-5-19(13-21)25(31)29-22-11-12-23(32-2)24(14-22)33-3/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyDAZZNOJTTRADAV-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.47
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide

N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 50826585) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
PubChem CID50826585
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-17-7-9-18(10-8-17)20-15-27-26(28-16-20)30-21-6-4-5-19(13-21)25(31)29-22-11-12-23(32-2)24(14-22)33-3/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyDAZZNOJTTRADAV-UHFFFAOYSA-N
XLogP5.47
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
N-(3-chloro-4-methoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826642
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide
CID 31890706
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide (CID 50826585) is N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide is COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is DAZZNOJTTRADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-7-9-18(10-8-17)20-15-27-26(28-16-20)30-21-6-4-5-19(13-21)25(31)29-22-11-12-23(32-2)24(14-22)33-3/h4-16H,1-3H3,(H,29,31)(H,27,28,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 440.50 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 50826585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).