2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid

C19H18N2O3 — CID 122055995

IUPAC2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CC3(CCCC3)c3ccccc32)c1
InChIInChI=1S/C19H18N2O3/c22-17(15-11-13(18(23)24)7-10-20-15)21-12-19(8-3-4-9-19)14-5-1-2-6-16(14)21/h1-2,5-7,10-11H,3-4,8-9,12H2,(H,23,24)
InChIKeyIMDRLQSSVAEXDF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.25
Rot. Bonds2

About 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid

2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid (PubChem CID 122055995) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid
PubChem CID122055995
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CC3(CCCC3)c3ccccc32)c1
InChIInChI=1S/C19H18N2O3/c22-17(15-11-13(18(23)24)7-10-20-15)21-12-19(8-3-4-9-19)14-5-1-2-6-16(14)21/h1-2,5-7,10-11H,3-4,8-9,12H2,(H,23,24)
InChIKeyIMDRLQSSVAEXDF-UHFFFAOYSA-N
XLogP3.25
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-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-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)pyridine-4-carboxylic acid
CID 122056342
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
(2-chloro-4-pyridinyl)-spiro[2H-indole-3,4'-piperidin-1-ium]-1-ylmethanone
CID 58046543
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 128614385
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
(2-chloro-4-pyridinyl)-[4'-[(E)-3-phenylprop-2-enyl]spiro[2H-indole-3,1'-cyclohexane]-1-yl]methanone
CID 58641839
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 67540864
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712
2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid
CID 122056337

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid (CID 122055995) is 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N2CC3(CCCC3)c3ccccc32)c1.
What is the InChIKey of 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid?
The InChIKey is IMDRLQSSVAEXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17(15-11-13(18(23)24)7-10-20-15)21-12-19(8-3-4-9-19)14-5-1-2-6-16(14)21/h1-2,5-7,10-11H,3-4,8-9,12H2,(H,23,24).
What are the key properties of 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid?
2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).