ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate

C14H23N3O2 — CID 114047032

IUPACethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(C)C(CC)CC
InChIInChI=1S/C14H23N3O2/c1-5-11(6-2)17(4)13-12(14(18)19-7-3)8-10(15)9-16-13/h8-9,11H,5-7,15H2,1-4H3
InChIKeyKOUZWQZJEPHLQW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.47
Rot. Bonds6

About ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate

ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate (PubChem CID 114047032) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
PubChem CID114047032
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(C)C(CC)CC
InChIInChI=1S/C14H23N3O2/c1-5-11(6-2)17(4)13-12(14(18)19-7-3)8-10(15)9-16-13/h8-9,11H,5-7,15H2,1-4H3
InChIKeyKOUZWQZJEPHLQW-UHFFFAOYSA-N
XLogP2.47
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070
ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 114047135
5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide
CID 112656986
ethyl 5-amino-2-[methyl(3-methylsulfanylpropyl)amino]pyridine-3-carboxylate
CID 114238201
ethyl 2-amino-5-[methyl(pentan-3-yl)amino]benzoate
CID 55137191
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate
CID 114047587
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
methyl 5-amino-2-[methyl(pentan-3-yl)amino]benzoate
CID 61306086
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate (CID 114047032) is ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1N(C)C(CC)CC.
What is the InChIKey of ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is KOUZWQZJEPHLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-11(6-2)17(4)13-12(14(18)19-7-3)8-10(15)9-16-13/h8-9,11H,5-7,15H2,1-4H3.
What are the key properties of ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate?
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).