N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

C23H24N4O — CID 109349548

IUPACN-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2c3ccccc3CC2C)ncn1
InChIInChI=1S/C23H24N4O/c1-3-26(15-18-9-5-4-6-10-18)23(28)20-14-22(25-16-24-20)27-17(2)13-19-11-7-8-12-21(19)27/h4-12,14,16-17H,3,13,15H2,1-2H3
InChIKeyJIASIKICURCAJB-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.22
Rot. Bonds5

About N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109349548) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109349548
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2c3ccccc3CC2C)ncn1
InChIInChI=1S/C23H24N4O/c1-3-26(15-18-9-5-4-6-10-18)23(28)20-14-22(25-16-24-20)27-17(2)13-19-11-7-8-12-21(19)27/h4-12,14,16-17H,3,13,15H2,1-2H3
InChIKeyJIASIKICURCAJB-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854263
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109124497
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
CID 109349485
N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109357909
N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
CID 121018154
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109349515
N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53171948
2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112856161
N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112903002
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109349548) is N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N2c3ccccc3CC2C)ncn1.
What is the InChIKey of N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is JIASIKICURCAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-26(15-18-9-5-4-6-10-18)23(28)20-14-22(25-16-24-20)27-17(2)13-19-11-7-8-12-21(19)27/h4-12,14,16-17H,3,13,15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).