6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide

C24H25N5O — CID 109372724

IUPAC6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H25N5O/c1-15-7-6-8-16(2)23(15)29-22-13-21(27-17(3)28-22)24(30)25-12-11-18-14-26-20-10-5-4-9-19(18)20/h4-10,13-14,26H,11-12H2,1-3H3,(H,25,30)(H,27,28,29)
InChIKeyFOFLUEJLPDIPHX-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.60
Rot. Bonds6

About 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide

6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109372724) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109372724
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H25N5O/c1-15-7-6-8-16(2)23(15)29-22-13-21(27-17(3)28-22)24(30)25-12-11-18-14-26-20-10-5-4-9-19(18)20/h4-10,13-14,26H,11-12H2,1-3H3,(H,25,30)(H,27,28,29)
InChIKeyFOFLUEJLPDIPHX-UHFFFAOYSA-N
XLogP4.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109372716
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352258
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372692
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352254
6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123298
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109372724) is 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2c(C)cccc2C)cc(C(=O)NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is FOFLUEJLPDIPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15-7-6-8-16(2)23(15)29-22-13-21(27-17(3)28-22)24(30)25-12-11-18-14-26-20-10-5-4-9-19(18)20/h4-10,13-14,26H,11-12H2,1-3H3,(H,25,30)(H,27,28,29).
What are the key properties of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).