2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid

C14H11N3O2 — CID 115146295

IUPAC2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c(Nc2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C14H11N3O2/c18-14(19)12-10-5-1-2-6-11(10)17-13(12)16-9-4-3-7-15-8-9/h1-8,16-17H,(H,18,19)
InChIKeyVJKNLVVADIMJIW-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.00
Rot. Bonds3

About 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid

2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid (PubChem CID 115146295) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid
PubChem CID115146295
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c(Nc2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C14H11N3O2/c18-14(19)12-10-5-1-2-6-11(10)17-13(12)16-9-4-3-7-15-8-9/h1-8,16-17H,(H,18,19)
InChIKeyVJKNLVVADIMJIW-UHFFFAOYSA-N
XLogP3.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic 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-(pyridin-3-ylamino)-1H-indole-3-carbonitrile
CID 115146342
9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
CID 75511238
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid
CID 139572181
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid
CID 64622681
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802927

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid (CID 115146295) is 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid is O=C(O)c1c(Nc2cccnc2)[nH]c2ccccc12.
What is the InChIKey of 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid?
The InChIKey is VJKNLVVADIMJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)12-10-5-1-2-6-11(10)17-13(12)16-9-4-3-7-15-8-9/h1-8,16-17H,(H,18,19).
What are the key properties of 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid?
2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 115146295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).