methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate

C11H12N4O3 — CID 106400515

IUPACmethyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCc2noc(C)n2)c1
InChIInChI=1S/C11H12N4O3/c1-7-14-10(15-18-7)6-13-9-5-8(3-4-12-9)11(16)17-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyFBMLDFZQSYEZJD-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate

methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate (PubChem CID 106400515) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
PubChem CID106400515
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Namemethyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCc2noc(C)n2)c1
InChIInChI=1S/C11H12N4O3/c1-7-14-10(15-18-7)6-13-9-5-8(3-4-12-9)11(16)17-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyFBMLDFZQSYEZJD-UHFFFAOYSA-N
XLogP1.17
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 114183854
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 52618291
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
CID 114108227
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114185472
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate (CID 106400515) is methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate is COC(=O)c1ccnc(NCc2noc(C)n2)c1.
What is the InChIKey of methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate?
The InChIKey is FBMLDFZQSYEZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-14-10(15-18-7)6-13-9-5-8(3-4-12-9)11(16)17-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate?
methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106400515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).