N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide

C26H33N5O2 — CID 110199515

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
SMILESO=C1CCN(Cc2ccncc2)CCCC(C(=O)NCCc2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C26H33N5O2/c32-25-11-17-31(19-20-7-12-27-13-8-20)16-3-4-21(9-14-28-25)26(33)29-15-10-22-18-30-24-6-2-1-5-23(22)24/h1-2,5-8,12-13,18,21,30H,3-4,9-11,14-17,19H2,(H,28,32)(H,29,33)
InChIKeyIWEUONHEITYYRZ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide (PubChem CID 110199515) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
PubChem CID110199515
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
SMILESO=C1CCN(Cc2ccncc2)CCCC(C(=O)NCCc2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C26H33N5O2/c32-25-11-17-31(19-20-7-12-27-13-8-20)16-3-4-21(9-14-28-25)26(33)29-15-10-22-18-30-24-6-2-1-5-23(22)24/h1-2,5-8,12-13,18,21,30H,3-4,9-11,14-17,19H2,(H,28,32)(H,29,33)
InChIKeyIWEUONHEITYYRZ-UHFFFAOYSA-N
XLogP3.03
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-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

N-(3-methylbutyl)-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199528
1-(benzenesulfonyl)-4-oxo-N-(2-pyridin-4-ylethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199889
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[(3,5-difluorophenyl)methyl]-4-oxo-1-(pyridin-3-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199588
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-(3-morpholin-4-ylpropyl)-4-oxo-1-(pyridin-3-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199564
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
N-[(2-methoxyphenyl)methyl]-4-oxo-1-(pyridin-3-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199568
N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
CID 5020167

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide (CID 110199515) is N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide is O=C1CCN(Cc2ccncc2)CCCC(C(=O)NCCc2c[nH]c3ccccc23)CCN1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide?
The InChIKey is IWEUONHEITYYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c32-25-11-17-31(19-20-7-12-27-13-8-20)16-3-4-21(9-14-28-25)26(33)29-15-10-22-18-30-24-6-2-1-5-23(22)24/h1-2,5-8,12-13,18,21,30H,3-4,9-11,14-17,19H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide is sourced from PubChem (CID 110199515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).