3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

C17H15ClN2O4 — CID 167867080

IUPAC3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCOC(=O)c1cnc(NC2CC(C(=O)O)c3ccccc32)c(Cl)c1
InChIInChI=1S/C17H15ClN2O4/c1-24-17(23)9-6-13(18)15(19-8-9)20-14-7-12(16(21)22)10-4-2-3-5-11(10)14/h2-6,8,12,14H,7H2,1H3,(H,19,20)(H,21,22)
InChIKeyFGTDXQLXMRBZAB-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.25
Rot. Bonds4

About 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 167867080) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID167867080
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCOC(=O)c1cnc(NC2CC(C(=O)O)c3ccccc32)c(Cl)c1
InChIInChI=1S/C17H15ClN2O4/c1-24-17(23)9-6-13(18)15(19-8-9)20-14-7-12(16(21)22)10-4-2-3-5-11(10)14/h2-6,8,12,14H,7H2,1H3,(H,19,20)(H,21,22)
InChIKeyFGTDXQLXMRBZAB-UHFFFAOYSA-N
XLogP3.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-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

5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid
CID 62366449
5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid
CID 131917976
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
CID 95770496
5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
CID 166226046
methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 51116284
[5-chloro-6-[(4-chloro-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273440
ethyl 6-(2-benzylanilino)-5-chloropyridine-3-carboxylate
CID 68966447
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122060149
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate
CID 68966974

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 167867080) is 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is COC(=O)c1cnc(NC2CC(C(=O)O)c3ccccc32)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is FGTDXQLXMRBZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-24-17(23)9-6-13(18)15(19-8-9)20-14-7-12(16(21)22)10-4-2-3-5-11(10)14/h2-6,8,12,14H,7H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 346.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-methoxycarbonyl-2-pyridinyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 167867080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).