ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate

C20H21N3O3 — CID 23794192

IUPACethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2c(C)cc3ccccn23)c(C)nc1C
InChIInChI=1S/C20H21N3O3/c1-5-26-20(25)16-11-17(14(4)21-13(16)3)22-19(24)18-12(2)10-15-8-6-7-9-23(15)18/h6-11H,5H2,1-4H3,(H,22,24)
InChIKeyQZPPAOMYQMMPSE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.69
Rot. Bonds4

About ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate

ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate (PubChem CID 23794192) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
PubChem CID23794192
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nameethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2c(C)cc3ccccn23)c(C)nc1C
InChIInChI=1S/C20H21N3O3/c1-5-26-20(25)16-11-17(14(4)21-13(16)3)22-19(24)18-12(2)10-15-8-6-7-9-23(15)18/h6-11H,5H2,1-4H3,(H,22,24)
InChIKeyQZPPAOMYQMMPSE-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 4788353
ethyl 4-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-5-carboxylate
CID 86059330
ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate
CID 4788349
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945
[(5-ethoxycarbonyl-2,6-dimethylpyridine-3-carbonyl)amino]carbamodithioic acid
CID 21238993
ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate
CID 5098025
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
CID 10638760

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate (CID 23794192) is ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)c2c(C)cc3ccccn23)c(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate?
The InChIKey is QZPPAOMYQMMPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-5-26-20(25)16-11-17(14(4)21-13(16)3)22-19(24)18-12(2)10-15-8-6-7-9-23(15)18/h6-11H,5H2,1-4H3,(H,22,24).
What are the key properties of ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate?
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 23794192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).