N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C19H24N4O2 — CID 131909946

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCc3ccccc32)nc(=O)[nH]1
InChIInChI=1S/C19H24N4O2/c1-13(2)11-15-12-16(22-19(25)21-15)18(24)20-8-10-23-9-7-14-5-3-4-6-17(14)23/h3-6,12-13H,7-11H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyZXTCGOLFBGENJS-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 131909946) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID131909946
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCc3ccccc32)nc(=O)[nH]1
InChIInChI=1S/C19H24N4O2/c1-13(2)11-15-12-16(22-19(25)21-15)18(24)20-8-10-23-9-7-14-5-3-4-6-17(14)23/h3-6,12-13H,7-11H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyZXTCGOLFBGENJS-UHFFFAOYSA-N
XLogP1.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547
N-(3-aminopropyl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 90647366
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
6-(2-methylpropyl)-2-oxo-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1H-pyrimidine-4-carboxamide
CID 91789386
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
CID 131945130
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 47381708
6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 156880544
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
CID 110620208
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 131945266
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 131909946) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCCN2CCc3ccccc32)nc(=O)[nH]1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZXTCGOLFBGENJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)11-15-12-16(22-19(25)21-15)18(24)20-8-10-23-9-7-14-5-3-4-6-17(14)23/h3-6,12-13H,7-11H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 131909946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).