methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate

C13H16N4O2 — CID 114090241

IUPACmethyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N(CCC#N)C2CC2)ncc1N
InChIInChI=1S/C13H16N4O2/c1-19-13(18)10-7-12(16-8-11(10)15)17(6-2-5-14)9-3-4-9/h7-9H,2-4,6,15H2,1H3
InChIKeyXEWJPAOUMXGBBS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.33
Rot. Bonds5

About methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate

methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate (PubChem CID 114090241) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
PubChem CID114090241
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N(CCC#N)C2CC2)ncc1N
InChIInChI=1S/C13H16N4O2/c1-19-13(18)10-7-12(16-8-11(10)15)17(6-2-5-14)9-3-4-9/h7-9H,2-4,6,15H2,1H3
InChIKeyXEWJPAOUMXGBBS-UHFFFAOYSA-N
XLogP1.33
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]benzoate
CID 54997374
methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
CID 114090370
methyl 5-amino-6-[2-cyanoethyl(cyclopropyl)amino]pyridine-2-carboxylate
CID 114406058
5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide
CID 114090352
methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
CID 114089987
methyl 4-chloro-2-[2-cyanoethyl(cyclopropyl)amino]-1,3-thiazole-5-carboxylate
CID 54997228
4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244340
3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972973
methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
CID 114090125
methyl 5-amino-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylate
CID 114090067
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
CID 79825815
ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
CID 114090073

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate (CID 114090241) is methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate is COC(=O)c1cc(N(CCC#N)C2CC2)ncc1N.
What is the InChIKey of methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate?
The InChIKey is XEWJPAOUMXGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-13(18)10-7-12(16-8-11(10)15)17(6-2-5-14)9-3-4-9/h7-9H,2-4,6,15H2,1H3.
What are the key properties of methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate?
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114090241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).