N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide

C23H24N4O — CID 112854327

IUPACN-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N2CCc3ccccc32)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-23(2,3)26-22(28)18-15-20(25-21(24-18)17-10-5-4-6-11-17)27-14-13-16-9-7-8-12-19(16)27/h4-12,15H,13-14H2,1-3H3,(H,26,28)
InChIKeySNHLVEGAYVTTLJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.37
Rot. Bonds3

About N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide

N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854327) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854327
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N2CCc3ccccc32)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-23(2,3)26-22(28)18-15-20(25-21(24-18)17-10-5-4-6-11-17)27-14-13-16-9-7-8-12-19(16)27/h4-12,15H,13-14H2,1-3H3,(H,26,28)
InChIKeySNHLVEGAYVTTLJ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852970
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
(2R)-3-(4-chlorophenyl)-2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenyl)pyrimidine-4-carbonyl]amino]propanoic acid
CID 11650040
N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112854326
1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
CID 112881040
N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848790
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide (CID 112854327) is N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide is CC(C)(C)NC(=O)c1cc(N2CCc3ccccc32)nc(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is SNHLVEGAYVTTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-23(2,3)26-22(28)18-15-20(25-21(24-18)17-10-5-4-6-11-17)27-14-13-16-9-7-8-12-19(16)27/h4-12,15H,13-14H2,1-3H3,(H,26,28).
What are the key properties of N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).