N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

C24H23N5O — CID 121018176

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C24H23N5O/c30-24(25-11-10-18-13-26-21-9-5-4-8-20(18)21)19-14-29(15-19)23-12-22(27-16-28-23)17-6-2-1-3-7-17/h1-9,12-13,16,19,26H,10-11,14-15H2,(H,25,30)
InChIKeyPCHYRTKBFVIDTF-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121018176) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121018176
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C24H23N5O/c30-24(25-11-10-18-13-26-21-9-5-4-8-20(18)21)19-14-29(15-19)23-12-22(27-16-28-23)17-6-2-1-3-7-17/h1-9,12-13,16,19,26H,10-11,14-15H2,(H,25,30)
InChIKeyPCHYRTKBFVIDTF-UHFFFAOYSA-N
XLogP3.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide 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

(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 99873101
N-[2-(1H-indol-3-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810836
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168298
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 30361698
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
CID 121128436
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121018176) is N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is PCHYRTKBFVIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(25-11-10-18-13-26-21-9-5-4-8-20(18)21)19-14-29(15-19)23-12-22(27-16-28-23)17-6-2-1-3-7-17/h1-9,12-13,16,19,26H,10-11,14-15H2,(H,25,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121018176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).