2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C23H24N4O — CID 109335444

IUPAC2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(N2CCc3ccccc32)n1)c1cccc(C)c1
InChIInChI=1S/C23H24N4O/c1-4-26(19-10-7-8-16(2)14-19)22(28)20-15-17(3)24-23(25-20)27-13-12-18-9-5-6-11-21(18)27/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyKRJOFUPRKJFVDE-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.45
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109335444) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109335444
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(N2CCc3ccccc32)n1)c1cccc(C)c1
InChIInChI=1S/C23H24N4O/c1-4-26(19-10-7-8-16(2)14-19)22(28)20-15-17(3)24-23(25-20)27-13-12-18-9-5-6-11-21(18)27/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyKRJOFUPRKJFVDE-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335380
4-[[[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-methylpiperazin-1-yl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-N-ethyl-N-(3-methylphenyl)benzamide
CID 122191851
2-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109331479
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335446
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192147
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333851

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109335444) is 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(N2CCc3ccccc32)n1)c1cccc(C)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KRJOFUPRKJFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-4-26(19-10-7-8-16(2)14-19)22(28)20-15-17(3)24-23(25-20)27-13-12-18-9-5-6-11-21(18)27/h5-11,14-15H,4,12-13H2,1-3H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109335444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).