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

C20H17FN4O — CID 109316683

IUPACN-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1nccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN4O/c1-13-12-14-4-2-3-5-18(14)25(13)20-22-11-10-17(24-20)19(26)23-16-8-6-15(21)7-9-16/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyBSFDWMKHYWZMAX-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.95
Rot. Bonds3

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

N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109316683) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109316683
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1nccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN4O/c1-13-12-14-4-2-3-5-18(14)25(13)20-22-11-10-17(24-20)19(26)23-16-8-6-15(21)7-9-16/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyBSFDWMKHYWZMAX-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574636
N-(4-fluorophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109244279
N-(4-acetylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109337849
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109309678
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270109
N-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270592
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795
N-(3,4-difluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109130264
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292034
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837
methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109178653

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109316683) is N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is CC1Cc2ccccc2N1c1nccc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is BSFDWMKHYWZMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-12-14-4-2-3-5-18(14)25(13)20-22-11-10-17(24-20)19(26)23-16-8-6-15(21)7-9-16/h2-11,13H,12H2,1H3,(H,23,26).
What are the key properties of N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).