methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate

C14H16N4O2 — CID 114405544

IUPACmethyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C14H16N4O2/c1-18(9-10-5-7-16-8-6-10)13-11(15)3-4-12(17-13)14(19)20-2/h3-8H,9,15H2,1-2H3
InChIKeyAHOSBJRGUJQKSO-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.48
Rot. Bonds4

About methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate (PubChem CID 114405544) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
PubChem CID114405544
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namemethyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C14H16N4O2/c1-18(9-10-5-7-16-8-6-10)13-11(15)3-4-12(17-13)14(19)20-2/h3-8H,9,15H2,1-2H3
InChIKeyAHOSBJRGUJQKSO-UHFFFAOYSA-N
XLogP1.48
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxylate
CID 114405521
methyl 5-amino-6-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-2-carboxylate
CID 114405984
methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate
CID 114406679
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
CID 114406277
methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
CID 114407218
5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125
methyl 3-amino-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 115934191
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
methyl 5-amino-3-chloro-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 107194225
methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate
CID 114405715
methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate
CID 114405553
methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate
CID 114405754

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate (CID 114405544) is methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N(C)Cc2ccncc2)n1.
What is the InChIKey of methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate?
The InChIKey is AHOSBJRGUJQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(9-10-5-7-16-8-6-10)13-11(15)3-4-12(17-13)14(19)20-2/h3-8H,9,15H2,1-2H3.
What are the key properties of methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).