N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

C23H24N4O — CID 109266156

IUPACN-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C23H24N4O/c1-23(2,3)18-9-5-6-10-19(18)26-21(28)17-14-24-22(25-15-17)27-13-12-16-8-4-7-11-20(16)27/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)
InChIKeyHMVDVOMJEXYTQD-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.72
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (PubChem CID 109266156) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
PubChem CID109266156
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C23H24N4O/c1-23(2,3)18-9-5-6-10-19(18)26-21(28)17-14-24-22(25-15-17)27-13-12-16-8-4-7-11-20(16)27/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)
InChIKeyHMVDVOMJEXYTQD-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
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
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109266150
2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258571
N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266359
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108981061

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (CID 109266156) is N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cnc(N2CCc3ccccc32)nc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is HMVDVOMJEXYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-23(2,3)18-9-5-6-10-19(18)26-21(28)17-14-24-22(25-15-17)27-13-12-16-8-4-7-11-20(16)27/h4-11,14-15H,12-13H2,1-3H3,(H,26,28).
What are the key properties of N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).