5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid

C20H21N3O3 — CID 175130499

IUPAC5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C20H21N3O3/c24-19(25)10-4-6-12-22-20(26)17-14-23(13-15-7-3-5-11-21-15)18-9-2-1-8-16(17)18/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,22,26)(H,24,25)
InChIKeyCSFOGFLXAYQSCD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.07
Rot. Bonds8

About 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid

5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid (PubChem CID 175130499) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
PubChem CID175130499
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C20H21N3O3/c24-19(25)10-4-6-12-22-20(26)17-14-23(13-15-7-3-5-11-21-15)18-9-2-1-8-16(17)18/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,22,26)(H,24,25)
InChIKeyCSFOGFLXAYQSCD-UHFFFAOYSA-N
XLogP3.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
CID 172686317
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
1-methyl-3-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pyrrole-2-carboxylic acid
CID 172801944
6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 172810073
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid (CID 175130499) is 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cn(Cc2ccccn2)c2ccccc12.
What is the InChIKey of 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid?
The InChIKey is CSFOGFLXAYQSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(25)10-4-6-12-22-20(26)17-14-23(13-15-7-3-5-11-21-15)18-9-2-1-8-16(17)18/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,22,26)(H,24,25).
What are the key properties of 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid?
5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid has a molecular weight of 351.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 175130499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).