2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid

C17H15N3O3 — CID 130299911

IUPAC2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid
SMILESCC(=O)c1cn(CC(=O)O)c2ccc(Nc3cccnc3)cc12
InChIInChI=1S/C17H15N3O3/c1-11(21)15-9-20(10-17(22)23)16-5-4-12(7-14(15)16)19-13-3-2-6-18-8-13/h2-9,19H,10H2,1H3,(H,22,23)
InChIKeyWGVLZDVJRKJPTH-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.07
Rot. Bonds5

About 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid

2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid (PubChem CID 130299911) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid
PubChem CID130299911
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid
SMILESCC(=O)c1cn(CC(=O)O)c2ccc(Nc3cccnc3)cc12
InChIInChI=1S/C17H15N3O3/c1-11(21)15-9-20(10-17(22)23)16-5-4-12(7-14(15)16)19-13-3-2-6-18-8-13/h2-9,19H,10H2,1H3,(H,22,23)
InChIKeyWGVLZDVJRKJPTH-UHFFFAOYSA-N
XLogP3.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid 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

2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid
CID 135182770
2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid
CID 130299828
1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 126624065
(2S,4R)-1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 126623838
2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 118322546
2-(3-acetyl-5-bromoindol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;pyridin-3-amine;hydrochloride
CID 161021748
2-[3-acetyl-5-(5-chloro-6-methyl-3-pyridinyl)indol-1-yl]acetic acid
CID 126643069
(2S)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidine-2-carboxamide
CID 130198997
2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide
CID 130300078
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid (CID 130299911) is 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid is CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cccnc3)cc12.
What is the InChIKey of 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid?
The InChIKey is WGVLZDVJRKJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(21)15-9-20(10-17(22)23)16-5-4-12(7-14(15)16)19-13-3-2-6-18-8-13/h2-9,19H,10H2,1H3,(H,22,23).
What are the key properties of 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid?
2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid has a molecular weight of 309.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid is sourced from PubChem (CID 130299911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).