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

C22H21FN4O — CID 109369937

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H21FN4O/c1-14-11-17-5-3-4-6-20(17)27(14)21-12-19(25-15(2)26-21)22(28)24-13-16-7-9-18(23)10-8-16/h3-10,12,14H,11,13H2,1-2H3,(H,24,28)
InChIKeyYLYQTVRGIJFDHP-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.94
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109369937) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109369937
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H21FN4O/c1-14-11-17-5-3-4-6-20(17)27(14)21-12-19(25-15(2)26-21)22(28)24-13-16-7-9-18(23)10-8-16/h3-10,12,14H,11,13H2,1-2H3,(H,24,28)
InChIKeyYLYQTVRGIJFDHP-UHFFFAOYSA-N
XLogP3.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109366315
N-tert-butyl-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109373876
N-[(4-fluorophenyl)methyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109156755
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109364612
2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365969
N-[(4-fluorophenyl)methyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364108
N-[(4-fluorophenyl)methyl]-6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109097874
N-(2,3-dimethylphenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 112849306
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066
N-[(4-fluorophenyl)methyl]-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367444
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109369937) is N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(F)cc2)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is YLYQTVRGIJFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14-11-17-5-3-4-6-20(17)27(14)21-12-19(25-15(2)26-21)22(28)24-13-16-7-9-18(23)10-8-16/h3-10,12,14H,11,13H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).