3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide

C18H16N4O2 — CID 163313079

IUPAC3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide
SMILESCc1cc(=O)[nH]c(-c2ccc(Nc3cccc(C(N)=O)c3)cc2)n1
InChIInChI=1S/C18H16N4O2/c1-11-9-16(23)22-18(20-11)12-5-7-14(8-6-12)21-15-4-2-3-13(10-15)17(19)24/h2-10,21H,1H3,(H2,19,24)(H,20,22,23)
InChIKeyAKWNHKNVKXFFDS-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.59
Rot. Bonds4

About 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide

3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide (PubChem CID 163313079) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide.

Molecular Properties

Compound Name3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide
PubChem CID163313079
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide
SMILESCc1cc(=O)[nH]c(-c2ccc(Nc3cccc(C(N)=O)c3)cc2)n1
InChIInChI=1S/C18H16N4O2/c1-11-9-16(23)22-18(20-11)12-5-7-14(8-6-12)21-15-4-2-3-13(10-15)17(19)24/h2-10,21H,1H3,(H2,19,24)(H,20,22,23)
InChIKeyAKWNHKNVKXFFDS-UHFFFAOYSA-N
XLogP2.59
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-pyrrolidin-1-ylbenzamide
CID 171388114
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
CID 136993255
3-[4-(dimethylamino)anilino]benzamide;formic acid
CID 166598868
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide
CID 123849295
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-3-[4-(2H-tetrazol-5-yl)anilino]benzamide
CID 167771011
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide?
The IUPAC name of 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide (CID 163313079) is 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide.
What is the SMILES notation for 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide?
The canonical SMILES for 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide is Cc1cc(=O)[nH]c(-c2ccc(Nc3cccc(C(N)=O)c3)cc2)n1.
What is the InChIKey of 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide?
The InChIKey is AKWNHKNVKXFFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-9-16(23)22-18(20-11)12-5-7-14(8-6-12)21-15-4-2-3-13(10-15)17(19)24/h2-10,21H,1H3,(H2,19,24)(H,20,22,23).
What are the key properties of 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide?
3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide is sourced from PubChem (CID 163313079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).