2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

C21H19FN4O — CID 109328560

IUPAC2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H19FN4O/c1-14-12-18(20(27)23-13-16-7-2-4-8-17(16)22)25-21(24-14)26-11-10-15-6-3-5-9-19(15)26/h2-9,12H,10-11,13H2,1H3,(H,23,27)
InChIKeyNWEYURJLOJACOB-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.55
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328560) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109328560
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H19FN4O/c1-14-12-18(20(27)23-13-16-7-2-4-8-17(16)22)25-21(24-14)26-11-10-15-6-3-5-9-19(15)26/h2-9,12H,10-11,13H2,1H3,(H,23,27)
InChIKeyNWEYURJLOJACOB-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335446
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329190
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731245
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348179
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109323431
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335380

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109328560) is 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2F)nc(N2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is NWEYURJLOJACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-12-18(20(27)23-13-16-7-2-4-8-17(16)22)25-21(24-14)26-11-10-15-6-3-5-9-19(15)26/h2-9,12H,10-11,13H2,1H3,(H,23,27).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.55, 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-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).