N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide

C19H18N4O — CID 35374224

IUPACN-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1C
InChIInChI=1S/C19H18N4O/c1-13-7-8-17(11-14(13)2)22-18(24)15-5-3-6-16(12-15)23-19-20-9-4-10-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyROKNHZXKYFQRNX-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide

N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 35374224) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
PubChem CID35374224
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1C
InChIInChI=1S/C19H18N4O/c1-13-7-8-17(11-14(13)2)22-18(24)15-5-3-6-16(12-15)23-19-20-9-4-10-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyROKNHZXKYFQRNX-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide
CID 31861938
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
ethane;N-ethylethanamine;N-[3-(pyrimidin-2-ylamino)phenyl]benzamide
CID 91174490
N-methoxy-3-(pyrimidin-2-ylamino)benzamide
CID 38013437
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 31896611
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
N-(3,4-dimethylphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168607008

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide (CID 35374224) is N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide is Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is ROKNHZXKYFQRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-7-8-17(11-14(13)2)22-18(24)15-5-3-6-16(12-15)23-19-20-9-4-10-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide?
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 318.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 35374224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).