ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate

C17H19N3O2 — CID 82535023

IUPACethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2ccc3c(c2)CN(C)C3)c1
InChIInChI=1S/C17H19N3O2/c1-3-22-17(21)13-6-16(9-18-8-13)19-15-5-4-12-10-20(2)11-14(12)7-15/h4-9,19H,3,10-11H2,1-2H3
InChIKeyCANJHQQWDXTTHV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.95
Rot. Bonds4

About ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate

ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate (PubChem CID 82535023) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate
PubChem CID82535023
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Nameethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2ccc3c(c2)CN(C)C3)c1
InChIInChI=1S/C17H19N3O2/c1-3-22-17(21)13-6-16(9-18-8-13)19-15-5-4-12-10-20(2)11-14(12)7-15/h4-9,19H,3,10-11H2,1-2H3
InChIKeyCANJHQQWDXTTHV-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate 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

ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
ethyl 5-(3-acetylanilino)pyridine-3-carboxylate
CID 82535061
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244137
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109238228
N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109238842
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate (CID 82535023) is ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cncc(Nc2ccc3c(c2)CN(C)C3)c1.
What is the InChIKey of ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate?
The InChIKey is CANJHQQWDXTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-17(21)13-6-16(9-18-8-13)19-15-5-4-12-10-20(2)11-14(12)7-15/h4-9,19H,3,10-11H2,1-2H3.
What are the key properties of ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate?
ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 82535023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).