4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide

C23H23N5O — CID 108726459

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCCn3ccc4ccccc43)cc2)n1
InChIInChI=1S/C23H23N5O/c1-16-15-17(2)26-23(25-16)27-20-9-7-19(8-10-20)22(29)24-12-14-28-13-11-18-5-3-4-6-21(18)28/h3-11,13,15H,12,14H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyLWXYEFLSASKQOV-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.22
Rot. Bonds6

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide (PubChem CID 108726459) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide
PubChem CID108726459
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCCn3ccc4ccccc43)cc2)n1
InChIInChI=1S/C23H23N5O/c1-16-15-17(2)26-23(25-16)27-20-9-7-19(8-10-20)22(29)24-12-14-28-13-11-18-5-3-4-6-21(18)28/h3-11,13,15H,12,14H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyLWXYEFLSASKQOV-UHFFFAOYSA-N
XLogP4.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796599
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]butanoic acid
CID 108796515
N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
CID 108726376
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide
CID 4625007
N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 53368524

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide (CID 108726459) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)NCCn3ccc4ccccc43)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide?
The InChIKey is LWXYEFLSASKQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-15-17(2)26-23(25-16)27-20-9-7-19(8-10-20)22(29)24-12-14-28-13-11-18-5-3-4-6-21(18)28/h3-11,13,15H,12,14H2,1-2H3,(H,24,29)(H,25,26,27).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide is sourced from PubChem (CID 108726459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).