ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate

C13H13N3O3 — CID 110445359

IUPACethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H13N3O3/c1-2-19-13(18)9-5-3-8-15-11(9)16-12(17)10-6-4-7-14-10/h3-8,14H,2H2,1H3,(H,15,16,17)
InChIKeyUSMYNVHZZXOOTO-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.84
Rot. Bonds4

About ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate

ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate (PubChem CID 110445359) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate
PubChem CID110445359
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Nameethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H13N3O3/c1-2-19-13(18)9-5-3-8-15-11(9)16-12(17)10-6-4-7-14-10/h3-8,14H,2H2,1H3,(H,15,16,17)
InChIKeyUSMYNVHZZXOOTO-UHFFFAOYSA-N
XLogP1.84
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110461050
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
CID 110439896
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate
CID 134870264
ethyl 2-[[(2S)-1-hydroxypropan-2-yl]carbamothioylamino]pyridine-3-carboxylate
CID 10802926
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate (CID 110445359) is ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(=O)c1ccc[nH]1.
What is the InChIKey of ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate?
The InChIKey is USMYNVHZZXOOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-19-13(18)9-5-3-8-15-11(9)16-12(17)10-6-4-7-14-10/h3-8,14H,2H2,1H3,(H,15,16,17).
What are the key properties of ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate?
ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate has a molecular weight of 259.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate is sourced from PubChem (CID 110445359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).