N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

C22H22N4O — CID 109267191

IUPACN-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)nc2)c1C
InChIInChI=1S/C22H22N4O/c1-14-7-6-9-19(16(14)3)25-21(27)18-12-23-22(24-13-18)26-15(2)11-17-8-4-5-10-20(17)26/h4-10,12-13,15H,11H2,1-3H3,(H,25,27)
InChIKeyBAJOZRHYIJKIAW-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.43
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (PubChem CID 109267191) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
PubChem CID109267191
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)nc2)c1C
InChIInChI=1S/C22H22N4O/c1-14-7-6-9-19(16(14)3)25-21(27)18-12-23-22(24-13-18)26-15(2)11-17-8-4-5-10-20(17)26/h4-10,12-13,15H,11H2,1-3H3,(H,25,27)
InChIKeyBAJOZRHYIJKIAW-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270109
N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 112849306
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109269354
N-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270592
N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109092172
azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264936
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126866
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
N-(2,3-dimethylphenyl)-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]acetamide
CID 17467252
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 80631271
(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264203

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (CID 109267191) is N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)nc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is BAJOZRHYIJKIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-7-6-9-19(16(14)3)25-21(27)18-12-23-22(24-13-18)26-15(2)11-17-8-4-5-10-20(17)26/h4-10,12-13,15H,11H2,1-3H3,(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.43, 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-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).