ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate

C14H23N3O2 — CID 106331106

IUPACethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NC(C)(CC)CC
InChIInChI=1S/C14H23N3O2/c1-5-14(4,6-2)17-12-11(13(18)19-7-3)8-10(15)9-16-12/h8-9H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyYMFOJCXESOICKU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.83
Rot. Bonds6

About ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate

ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate (PubChem CID 106331106) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
PubChem CID106331106
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NC(C)(CC)CC
InChIInChI=1S/C14H23N3O2/c1-5-14(4,6-2)17-12-11(13(18)19-7-3)8-10(15)9-16-12/h8-9H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyYMFOJCXESOICKU-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine
CID 106328101
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 114047135
ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 106407447
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106197591
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
CID 70396007
5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide
CID 114152401
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate (CID 106331106) is ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1NC(C)(CC)CC.
What is the InChIKey of ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate?
The InChIKey is YMFOJCXESOICKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-14(4,6-2)17-12-11(13(18)19-7-3)8-10(15)9-16-12/h8-9H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate?
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 106331106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).