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

C18H22N4O — CID 109373418

IUPAC6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCc3ccccc32)nc(C)n1
InChIInChI=1S/C18H22N4O/c1-4-21(5-2)18(23)15-12-17(20-13(3)19-15)22-11-10-14-8-6-7-9-16(14)22/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySGKQHCCSSMKOTK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds4

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

6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109373418) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109373418
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCc3ccccc32)nc(C)n1
InChIInChI=1S/C18H22N4O/c1-4-21(5-2)18(23)15-12-17(20-13(3)19-15)22-11-10-14-8-6-7-9-16(14)22/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySGKQHCCSSMKOTK-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372331
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373405
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848658
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
5-(2,3-dihydroindol-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109288910
6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848687

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 109373418) is 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(N2CCc3ccccc32)nc(C)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is SGKQHCCSSMKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-21(5-2)18(23)15-12-17(20-13(3)19-15)22-11-10-14-8-6-7-9-16(14)22/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).