ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate

C12H13N3O2 — CID 79106249

IUPACethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nn1cccc1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)10-6-5-7-13-11(10)14-15-8-3-4-9-15/h3-9H,2H2,1H3,(H,13,14)
InChIKeyJAJWPKZHNRCVRG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate

ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate (PubChem CID 79106249) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
PubChem CID79106249
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nn1cccc1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)10-6-5-7-13-11(10)14-15-8-3-4-9-15/h3-9H,2H2,1H3,(H,13,14)
InChIKeyJAJWPKZHNRCVRG-UHFFFAOYSA-N
XLogP1.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79107091
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate
CID 79778395
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
CID 82874044
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate (CID 79106249) is ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Nn1cccc1.
What is the InChIKey of ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
The InChIKey is JAJWPKZHNRCVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-12(16)10-6-5-7-13-11(10)14-15-8-3-4-9-15/h3-9H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate?
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 79106249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).