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

C21H20N4O2 — CID 137288333

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc(=O)[nH]1
InChIInChI=1S/C21H20N4O2/c1-14-23-18(10-20(26)24-14)11-22-21(27)15-7-4-8-19(9-15)25-12-16-5-2-3-6-17(16)13-25/h2-10H,11-13H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyFYAODUHXQFJCJS-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.53
Rot. Bonds4

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

3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide (PubChem CID 137288333) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
PubChem CID137288333
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc(=O)[nH]1
InChIInChI=1S/C21H20N4O2/c1-14-23-18(10-20(26)24-14)11-22-21(27)15-7-4-8-19(9-15)25-12-16-5-2-3-6-17(16)13-25/h2-10H,11-13H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyFYAODUHXQFJCJS-UHFFFAOYSA-N
XLogP2.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70737714
4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 136662461
4-(2-hydroxyethylsulfanyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 136662518
3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide
CID 91787264
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide
CID 122352474
2-(3-methoxyphenyl)sulfanyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
CID 136662204
2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 137214508
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide
CID 91795638
3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
CID 118783080
(4S)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 136696860

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide (CID 137288333) is 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc(=O)[nH]1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
The InChIKey is FYAODUHXQFJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-23-18(10-20(26)24-14)11-22-21(27)15-7-4-8-19(9-15)25-12-16-5-2-3-6-17(16)13-25/h2-10H,11-13H2,1H3,(H,22,27)(H,23,24,26).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide?
3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide has a molecular weight of 360.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 137288333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).