4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide

C21H20N4O4 — CID 66810040

IUPAC4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nc(NC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H20N4O4/c1-13-12-18(23-19(26)14-4-8-16(28-2)9-5-14)24-21(22-13)25-20(27)15-6-10-17(29-3)11-7-15/h4-12H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyARILMZGLZNZZFO-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.31
Rot. Bonds6

About 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide

4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide (PubChem CID 66810040) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
PubChem CID66810040
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nc(NC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H20N4O4/c1-13-12-18(23-19(26)14-4-8-16(28-2)9-5-14)24-21(22-13)25-20(27)15-6-10-17(29-3)11-7-15/h4-12H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyARILMZGLZNZZFO-UHFFFAOYSA-N
XLogP3.31
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
CID 58205190
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
CID 50947492
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122286994
4-tert-butyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075067
4-acetyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122294748
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide (CID 66810040) is 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide is COc1ccc(C(=O)Nc2cc(C)nc(NC(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
The InChIKey is ARILMZGLZNZZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-12-18(23-19(26)14-4-8-16(28-2)9-5-14)24-21(22-13)25-20(27)15-6-10-17(29-3)11-7-15/h4-12H,1-3H3,(H2,22,23,24,25,26,27).
What are the key properties of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide is sourced from PubChem (CID 66810040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).