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

C23H24N4O — CID 112849306

IUPACN-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C)c2C)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C23H24N4O/c1-14-8-7-10-19(16(14)3)26-23(28)20-13-22(25-17(4)24-20)27-15(2)12-18-9-5-6-11-21(18)27/h5-11,13,15H,12H2,1-4H3,(H,26,28)
InChIKeyIWAYEARXVMHIFL-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.74
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 112849306) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID112849306
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C)c2C)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C23H24N4O/c1-14-8-7-10-19(16(14)3)26-23(28)20-13-22(25-17(4)24-20)27-15(2)12-18-9-5-6-11-21(18)27/h5-11,13,15H,12H2,1-4H3,(H,26,28)
InChIKeyIWAYEARXVMHIFL-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109373876
N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109267191
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109366315
N-(2,3-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364171
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126866
N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109369937
2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365969
N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109092172
2-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194954
N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109357909
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109364612
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone
CID 109367418

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 112849306) is N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2cccc(C)c2C)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is IWAYEARXVMHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14-8-7-10-19(16(14)3)26-23(28)20-13-22(25-17(4)24-20)27-15(2)12-18-9-5-6-11-21(18)27/h5-11,13,15H,12H2,1-4H3,(H,26,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).