2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide

C20H19N3O4 — CID 136773095

IUPAC2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C20H19N3O4/c1-12-10-17(24)23-19(21-12)13-6-4-7-14(11-13)22-20(25)18-15(26-2)8-5-9-16(18)27-3/h4-11H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyKQZSORPZIDZXTQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.01
Rot. Bonds5

About 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide

2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide (PubChem CID 136773095) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
PubChem CID136773095
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C20H19N3O4/c1-12-10-17(24)23-19(21-12)13-6-4-7-14(11-13)22-20(25)18-15(26-2)8-5-9-16(18)27-3/h4-11H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyKQZSORPZIDZXTQ-UHFFFAOYSA-N
XLogP3.01
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 155630374
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179
4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 136512991
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818234
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136804360
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
1-(2-aminoethyl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]triazole-4-carboxamide
CID 166321128
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166261151

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide (CID 136773095) is 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide?
The InChIKey is KQZSORPZIDZXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-10-17(24)23-19(21-12)13-6-4-7-14(11-13)22-20(25)18-15(26-2)8-5-9-16(18)27-3/h4-11H,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide?
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide has a molecular weight of 365.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 136773095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).