N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide

C20H16F2N4O — CID 109335446

IUPACN-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H16F2N4O/c1-12-11-16(19(27)25-18-14(21)6-4-7-15(18)22)24-20(23-12)26-10-9-13-5-2-3-8-17(13)26/h2-8,11H,9-10H2,1H3,(H,25,27)
InChIKeyKDJGMJXJONTAFI-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.01
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335446) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335446
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC NameN-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H16F2N4O/c1-12-11-16(19(27)25-18-14(21)6-4-7-15(18)22)24-20(23-12)26-10-9-13-5-2-3-8-17(13)26/h2-8,11H,9-10H2,1H3,(H,25,27)
InChIKeyKDJGMJXJONTAFI-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335380
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335400
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109323431
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide (CID 109335446) is N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(F)cccc2F)nc(N2CCc3ccccc32)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KDJGMJXJONTAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-12-11-16(19(27)25-18-14(21)6-4-7-15(18)22)24-20(23-12)26-10-9-13-5-2-3-8-17(13)26/h2-8,11H,9-10H2,1H3,(H,25,27).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).