ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate

C14H23N3O2 — CID 114047135

IUPACethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(C)CC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-6-19-13(18)11-7-10(15)8-16-12(11)17(5)9-14(2,3)4/h7-8H,6,9,15H2,1-5H3
InChIKeyQRBATVGSDSYSCQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.32
Rot. Bonds4

About ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate

ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate (PubChem CID 114047135) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
PubChem CID114047135
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(C)CC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-6-19-13(18)11-7-10(15)8-16-12(11)17(5)9-14(2,3)4/h7-8H,6,9,15H2,1-5H3
InChIKeyQRBATVGSDSYSCQ-UHFFFAOYSA-N
XLogP2.32
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
ethyl 5-amino-2-[methyl(3-methylsulfanylpropyl)amino]pyridine-3-carboxylate
CID 114238201
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
2-N-(2,2-dimethylpropyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 62475716
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
CID 114047407
ethyl 5-amino-3-chloro-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 107196709
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate (CID 114047135) is ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1N(C)CC(C)(C)C.
What is the InChIKey of ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
The InChIKey is QRBATVGSDSYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-19-13(18)11-7-10(15)8-16-12(11)17(5)9-14(2,3)4/h7-8H,6,9,15H2,1-5H3.
What are the key properties of ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.32, 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-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).