ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate

C14H21N3O2 — CID 114090073

IUPACethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N(C)C2CCCC2)ncc1N
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)11-8-13(16-9-12(11)15)17(2)10-6-4-5-7-10/h8-10H,3-7,15H2,1-2H3
InChIKeyJHDDZJAXDZJZSG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds4

About ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate

ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate (PubChem CID 114090073) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
PubChem CID114090073
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N(C)C2CCCC2)ncc1N
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)11-8-13(16-9-12(11)15)17(2)10-6-4-5-7-10/h8-10H,3-7,15H2,1-2H3
InChIKeyJHDDZJAXDZJZSG-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
CID 114090076
ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
CID 114090078
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate
CID 162747457
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxamide
CID 114090686
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79173042
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate (CID 114090073) is ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate is CCOC(=O)c1cc(N(C)C2CCCC2)ncc1N.
What is the InChIKey of ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate?
The InChIKey is JHDDZJAXDZJZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-14(18)11-8-13(16-9-12(11)15)17(2)10-6-4-5-7-10/h8-10H,3-7,15H2,1-2H3.
What are the key properties of ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate?
ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114090073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).