3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

C21H23N3O6 — CID 20905465

IUPAC3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
SMILESCOc1cccc(C(=O)NC2=NC(c3ccc(OC)c(OC)c3OC)CC(=O)N2)c1
InChIInChI=1S/C21H23N3O6/c1-27-13-7-5-6-12(10-13)20(26)24-21-22-15(11-17(25)23-21)14-8-9-16(28-2)19(30-4)18(14)29-3/h5-10,15H,11H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyLXMJZSHRVDGYTF-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.07
Rot. Bonds6

About 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide (PubChem CID 20905465) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
PubChem CID20905465
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Name3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
SMILESCOc1cccc(C(=O)NC2=NC(c3ccc(OC)c(OC)c3OC)CC(=O)N2)c1
InChIInChI=1S/C21H23N3O6/c1-27-13-7-5-6-12(10-13)20(26)24-21-22-15(11-17(25)23-21)14-8-9-16(28-2)19(30-4)18(14)29-3/h5-10,15H,11H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyLXMJZSHRVDGYTF-UHFFFAOYSA-N
XLogP2.07
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92655561
N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide
CID 92688313
N-[4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-(dimethylamino)benzamide
CID 20905488
3-chloro-N-[(4S)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92705406
[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
CID 92857079
N-[(4R)-4-(2-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]pyridine-3-carboxamide
CID 92705373
N-[(4S)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-4-methylbenzamide
CID 92705396
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 19172117
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide (CID 20905465) is 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide is COc1cccc(C(=O)NC2=NC(c3ccc(OC)c(OC)c3OC)CC(=O)N2)c1.
What is the InChIKey of 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The InChIKey is LXMJZSHRVDGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-27-13-7-5-6-12(10-13)20(26)24-21-22-15(11-17(25)23-21)14-8-9-16(28-2)19(30-4)18(14)29-3/h5-10,15H,11H2,1-4H3,(H2,22,23,24,25,26).
What are the key properties of 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide has a molecular weight of 413.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide is sourced from PubChem (CID 20905465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).