2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C20H20N4O2 — CID 665925

IUPAC2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-6-8-15(9-7-13)21-19(26)16-12-18(25)23-20(22-16)24-11-10-14-4-2-3-5-17(14)24/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyDKUPVJRRULFPNV-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.24
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 665925) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID665925
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-6-8-15(9-7-13)21-19(26)16-12-18(25)23-20(22-16)24-11-10-14-4-2-3-5-17(14)24/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyDKUPVJRRULFPNV-UHFFFAOYSA-N
XLogP2.24
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-cyclopropyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 6622829
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2952911
3-Cyclohexyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 649300
3-Benzyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655009
3-Benzyl-2-(2,4-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 1454440
N-(4-methylphenyl)-2-[(3-methylphenyl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 2968952
N-cyclohexyl-2-[(4-ethylphenyl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 2969992
N-(benzylcarbamoyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 4290025
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 4785048
2-{3-[2-(Cyclohex-1-EN-1-YL)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-YL}-N-(4-fluorophenyl)acetamide
CID 16009055
2-(4-butylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one;hydrochloride
CID 16192775
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-propan-2-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56663080

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 665925) is 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is DKUPVJRRULFPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-6-8-15(9-7-13)21-19(26)16-12-18(25)23-20(22-16)24-11-10-14-4-2-3-5-17(14)24/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 665925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).