ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate

C17H21N3O2 — CID 69184204

IUPACethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)[nH]c1CC(N)C1CC1
InChIInChI=1S/C17H21N3O2/c1-2-22-17(21)13-9-15(12-5-7-19-8-6-12)20-16(13)10-14(18)11-3-4-11/h5-9,11,14,20H,2-4,10,18H2,1H3
InChIKeyNDGOTCCRHJWNIY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.53
Rot. Bonds6

About ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate

ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate (PubChem CID 69184204) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
PubChem CID69184204
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nameethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)[nH]c1CC(N)C1CC1
InChIInChI=1S/C17H21N3O2/c1-2-22-17(21)13-9-15(12-5-7-19-8-6-12)20-16(13)10-14(18)11-3-4-11/h5-9,11,14,20H,2-4,10,18H2,1H3
InChIKeyNDGOTCCRHJWNIY-UHFFFAOYSA-N
XLogP2.53
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S)-2-amino-3-methylbutyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylate;dihydrochloride
CID 69181528
ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
CID 165453183
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 102028571
ethyl 2-[(1Z,3E)-1-(2,4-dimethylcyclobutyl)penta-1,3-dien-3-yl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 89325813
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 25193923
ethyl 2-(3-morpholin-4-ylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 68945690
2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride
CID 24778427
ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate
CID 20553774
ethyl 5-[4-(4-bromophenyl)-3-cyclopropylbutyl]-1H-pyrazole-4-carboxylate
CID 67754759
ethyl 6-pyridin-4-ylpyrimidine-4-carboxylate
CID 122239334
ethyl 2-amino-5-[4-(dimethylamino)phenyl]-1H-pyrrole-3-carboxylate
CID 82365141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate (CID 69184204) is ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccncc2)[nH]c1CC(N)C1CC1.
What is the InChIKey of ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The InChIKey is NDGOTCCRHJWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-22-17(21)13-9-15(12-5-7-19-8-6-12)20-16(13)10-14(18)11-3-4-11/h5-9,11,14,20H,2-4,10,18H2,1H3.
What are the key properties of ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate?
ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2-cyclopropylethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 69184204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).