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

C13H19N3O2 — CID 114195070

IUPACmethyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1N(C)CC1CCC1
InChIInChI=1S/C13H19N3O2/c1-16(8-9-4-3-5-9)11-7-15-12(14)6-10(11)13(17)18-2/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyJXIKYHNDCMSVJY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds4

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

methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate (PubChem CID 114195070) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
PubChem CID114195070
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1N(C)CC1CCC1
InChIInChI=1S/C13H19N3O2/c1-16(8-9-4-3-5-9)11-7-15-12(14)6-10(11)13(17)18-2/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyJXIKYHNDCMSVJY-UHFFFAOYSA-N
XLogP1.69
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxamide
CID 114194912
methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
CID 114194852
methyl 3-amino-4-[cyclopentylmethyl(methyl)amino]benzoate
CID 55250036
methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate
CID 63423207
methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
CID 114195676
ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
CID 114194899
methyl 4-amino-2-[cyclobutylmethyl(methyl)sulfamoyl]benzoate
CID 102931206
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate
CID 114195170
methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate
CID 114195046
2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114194996
methyl 2-amino-3-[methyl(oxan-3-ylmethyl)amino]benzoate
CID 115546164
methyl 4-bromo-2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzoate
CID 166637634

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate (CID 114195070) is methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1N(C)CC1CCC1.
What is the InChIKey of methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate?
The InChIKey is JXIKYHNDCMSVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(8-9-4-3-5-9)11-7-15-12(14)6-10(11)13(17)18-2/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate?
methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114195070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).