ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate

C15H23N3O2 — CID 106738180

IUPACethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CN)C1CCCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(19)12-8-5-9-17-14(12)18-13(10-16)11-6-3-4-7-11/h5,8-9,11,13H,2-4,6-7,10,16H2,1H3,(H,17,18)
InChIKeyNOVGDJXDPREOEJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate

ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate (PubChem CID 106738180) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
PubChem CID106738180
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CN)C1CCCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(19)12-8-5-9-17-14(12)18-13(10-16)11-6-3-4-7-11/h5,8-9,11,13H,2-4,6-7,10,16H2,1H3,(H,17,18)
InChIKeyNOVGDJXDPREOEJ-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
CID 115309539
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
CID 80698274
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
CID 55188965
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
CID 133469048
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate (CID 106738180) is ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(CN)C1CCCC1.
What is the InChIKey of ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate?
The InChIKey is NOVGDJXDPREOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-15(19)12-8-5-9-17-14(12)18-13(10-16)11-6-3-4-7-11/h5,8-9,11,13H,2-4,6-7,10,16H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate?
ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 106738180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).