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

C24H26N4O — CID 112854263

IUPACN,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2c3ccccc3CC2C)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c1-4-27(5-2)24(29)20-16-22(26-23(25-20)18-11-7-6-8-12-18)28-17(3)15-19-13-9-10-14-21(19)28/h6-14,16-17H,4-5,15H2,1-3H3
InChIKeyUKLXSVAMUJNMOA-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.71
Rot. Bonds5

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

N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854263) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854263
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2c3ccccc3CC2C)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c1-4-27(5-2)24(29)20-16-22(26-23(25-20)18-11-7-6-8-12-18)28-17(3)15-19-13-9-10-14-21(19)28/h6-14,16-17H,4-5,15H2,1-3H3
InChIKeyUKLXSVAMUJNMOA-UHFFFAOYSA-N
XLogP4.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109124497
N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109349548
N-(3-methoxypropyl)-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-amine
CID 112880478
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109366315
N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112903002
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone
CID 109367418
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
N-tert-butyl-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109373876
1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80943520
2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365969
N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109369937
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide (CID 112854263) is N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(N2c3ccccc3CC2C)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is UKLXSVAMUJNMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-4-27(5-2)24(29)20-16-22(26-23(25-20)18-11-7-6-8-12-18)28-17(3)15-19-13-9-10-14-21(19)28/h6-14,16-17H,4-5,15H2,1-3H3.
What are the key properties of N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide?
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).