methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate

C17H24N4O3 — CID 46996051

IUPACmethyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate
SMILESCCN(Cc1cccc(C(=O)OC)n1)Cc1noc(CC(C)C)n1
InChIInChI=1S/C17H24N4O3/c1-5-21(11-15-19-16(24-20-15)9-12(2)3)10-13-7-6-8-14(18-13)17(22)23-4/h6-8,12H,5,9-11H2,1-4H3
InChIKeyQKGVHAPUCMNBIQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.47
Rot. Bonds8

About methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate

methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 46996051) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate
PubChem CID46996051
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Namemethyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate
SMILESCCN(Cc1cccc(C(=O)OC)n1)Cc1noc(CC(C)C)n1
InChIInChI=1S/C17H24N4O3/c1-5-21(11-15-19-16(24-20-15)9-12(2)3)10-13-7-6-8-14(18-13)17(22)23-4/h6-8,12H,5,9-11H2,1-4H3
InChIKeyQKGVHAPUCMNBIQ-UHFFFAOYSA-N
XLogP2.47
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide
CID 46988904
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
N-[(2,4-difluoro-3-methoxyphenyl)methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 50962079
[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol
CID 46985013
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate
CID 106905254
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate
CID 155721260
2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
CID 106905121

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate (CID 46996051) is methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate is CCN(Cc1cccc(C(=O)OC)n1)Cc1noc(CC(C)C)n1.
What is the InChIKey of methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is QKGVHAPUCMNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-21(11-15-19-16(24-20-15)9-12(2)3)10-13-7-6-8-14(18-13)17(22)23-4/h6-8,12H,5,9-11H2,1-4H3.
What are the key properties of methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate?
methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 46996051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).