methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate

C15H25N3O2 — CID 107817832

IUPACmethyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate
SMILESCCCCC(CC)CNc1nccc(C(=O)OC)c1N
InChIInChI=1S/C15H25N3O2/c1-4-6-7-11(5-2)10-18-14-13(16)12(8-9-17-14)15(19)20-3/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,18)
InChIKeyKBEBYTMPUDWLBO-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.08
Rot. Bonds8

About methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate

methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate (PubChem CID 107817832) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate
PubChem CID107817832
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate
SMILESCCCCC(CC)CNc1nccc(C(=O)OC)c1N
InChIInChI=1S/C15H25N3O2/c1-4-6-7-11(5-2)10-18-14-13(16)12(8-9-17-14)15(19)20-3/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,18)
InChIKeyKBEBYTMPUDWLBO-UHFFFAOYSA-N
XLogP3.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
CID 107816442
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
2-N-(2-ethylhexyl)-6-methoxypyridine-2,3-diamine
CID 114004558
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate
CID 83022806
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate (CID 107817832) is methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate is CCCCC(CC)CNc1nccc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate?
The InChIKey is KBEBYTMPUDWLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-6-7-11(5-2)10-18-14-13(16)12(8-9-17-14)15(19)20-3/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate?
methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate is sourced from PubChem (CID 107817832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).