2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C20H20N4O3 — CID 50755367

IUPAC2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1Cn1ccc(=O)n(CC(=O)NCc2cccnc2)c1=O
InChIInChI=1S/C20H20N4O3/c1-15-5-2-3-7-17(15)13-23-10-8-19(26)24(20(23)27)14-18(25)22-12-16-6-4-9-21-11-16/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyNTTYMGVCNHNARD-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.08
Rot. Bonds6

About 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 50755367) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID50755367
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1Cn1ccc(=O)n(CC(=O)NCc2cccnc2)c1=O
InChIInChI=1S/C20H20N4O3/c1-15-5-2-3-7-17(15)13-23-10-8-19(26)24(20(23)27)14-18(25)22-12-16-6-4-9-21-11-16/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyNTTYMGVCNHNARD-UHFFFAOYSA-N
XLogP1.08
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755388
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 112809609
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
4-[(2-methylphenyl)methyl]-3,5-dioxo-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46005608
N'-(2-ethyl-6-methylphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947663
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 112841601
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 50755367) is 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1ccccc1Cn1ccc(=O)n(CC(=O)NCc2cccnc2)c1=O.
What is the InChIKey of 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is NTTYMGVCNHNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-15-5-2-3-7-17(15)13-23-10-8-19(26)24(20(23)27)14-18(25)22-12-16-6-4-9-21-11-16/h2-11H,12-14H2,1H3,(H,22,25).
What are the key properties of 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 50755367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).