2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide

C22H22N4O — CID 109266150

IUPAC2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C22H22N4O/c1-3-16-9-6-7-15(2)20(16)25-21(27)18-13-23-22(24-14-18)26-12-11-17-8-4-5-10-19(17)26/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27)
InChIKeyXHVKTIBSMICFGV-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.29
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide

2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266150) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109266150
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C22H22N4O/c1-3-16-9-6-7-15(2)20(16)25-21(27)18-13-23-22(24-14-18)26-12-11-17-8-4-5-10-19(17)26/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27)
InChIKeyXHVKTIBSMICFGV-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266359
N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266171
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
6-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84570241
2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258571

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (CID 109266150) is 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(N2CCc3ccccc32)nc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is XHVKTIBSMICFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-16-9-6-7-15(2)20(16)25-21(27)18-13-23-22(24-14-18)26-12-11-17-8-4-5-10-19(17)26/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).