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

C20H19N3O3 — CID 136662461

IUPAC4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCc3cc(=O)[nH]c(C)n3)cc2)c1
InChIInChI=1S/C20H19N3O3/c1-13-22-17(11-19(24)23-13)12-21-20(25)15-8-6-14(7-9-15)16-4-3-5-18(10-16)26-2/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHBGVJQFHMGCTGU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.68
Rot. Bonds5

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

4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide (PubChem CID 136662461) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
PubChem CID136662461
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCc3cc(=O)[nH]c(C)n3)cc2)c1
InChIInChI=1S/C20H19N3O3/c1-13-22-17(11-19(24)23-13)12-21-20(25)15-8-6-14(7-9-15)16-4-3-5-18(10-16)26-2/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHBGVJQFHMGCTGU-UHFFFAOYSA-N
XLogP2.68
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
CID 136662204
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
4-(2-hydroxyethylsulfanyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 136662518
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide (CID 136662461) is 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide is COc1cccc(-c2ccc(C(=O)NCc3cc(=O)[nH]c(C)n3)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
The InChIKey is HBGVJQFHMGCTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-22-17(11-19(24)23-13)12-21-20(25)15-8-6-14(7-9-15)16-4-3-5-18(10-16)26-2/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 136662461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).