methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate

C14H20N4O2 — CID 114406141

IUPACmethyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(CCC#N)CC(C)C)n1
InChIInChI=1S/C14H20N4O2/c1-10(2)9-18(8-4-7-15)13-11(16)5-6-12(17-13)14(19)20-3/h5-6,10H,4,8-9,16H2,1-3H3
InChIKeyLQFYSIOQVOUTCQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.83
Rot. Bonds6

About methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate (PubChem CID 114406141) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate
PubChem CID114406141
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namemethyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(CCC#N)CC(C)C)n1
InChIInChI=1S/C14H20N4O2/c1-10(2)9-18(8-4-7-15)13-11(16)5-6-12(17-13)14(19)20-3/h5-6,10H,4,8-9,16H2,1-3H3
InChIKeyLQFYSIOQVOUTCQ-UHFFFAOYSA-N
XLogP1.83
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
methyl 5-amino-6-[2-cyanoethyl(cyclopropyl)amino]pyridine-2-carboxylate
CID 114406058
methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
CID 114407218
methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate
CID 114405754
methyl 2-[2-cyanoethyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
CID 80570951
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
CID 114406277
methyl 2-[2-[2-cyanoethyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575232
methyl 5-amino-6-(4-methylpentan-2-yloxy)pyridine-2-carboxylate
CID 114408539
ethyl 2-[2-cyanoethyl(2-methylpropyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526587
methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
CID 28815553
3-amino-4-[2-cyanoethyl(2-methylpropyl)amino]-N-ethylbenzamide
CID 82989899

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate (CID 114406141) is methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N(CCC#N)CC(C)C)n1.
What is the InChIKey of methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
The InChIKey is LQFYSIOQVOUTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)9-18(8-4-7-15)13-11(16)5-6-12(17-13)14(19)20-3/h5-6,10H,4,8-9,16H2,1-3H3.
What are the key properties of methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114406141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).