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

C22H26N4O — CID 109323431

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H26N4O/c1-16-15-19(21(27)23-13-11-17-7-3-2-4-8-17)25-22(24-16)26-14-12-18-9-5-6-10-20(18)26/h5-7,9-10,15H,2-4,8,11-14H2,1H3,(H,23,27)
InChIKeyAWMWJXJBPDFHAD-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.10
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323431) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID109323431
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H26N4O/c1-16-15-19(21(27)23-13-11-17-7-3-2-4-8-17)25-22(24-16)26-14-12-18-9-5-6-10-20(18)26/h5-7,9-10,15H,2-4,8,11-14H2,1H3,(H,23,27)
InChIKeyAWMWJXJBPDFHAD-UHFFFAOYSA-N
XLogP4.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109364580
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109251077
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323382
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332521
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109364612
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
2-anilino-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323426
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide (CID 109323431) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC2=CCCCC2)nc(N2CCc3ccccc32)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is AWMWJXJBPDFHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-15-19(21(27)23-13-11-17-7-3-2-4-8-17)25-22(24-16)26-14-12-18-9-5-6-10-20(18)26/h5-7,9-10,15H,2-4,8,11-14H2,1H3,(H,23,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).