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

C13H21N3O2 — CID 114090125

IUPACmethyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
SMILESCCCC(C)N(C)c1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C13H21N3O2/c1-5-6-9(2)16(3)12-7-10(13(17)18-4)11(14)8-15-12/h7-9H,5-6,14H2,1-4H3
InChIKeyXFZBDENADNNEAP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds5

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

methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate (PubChem CID 114090125) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
PubChem CID114090125
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
SMILESCCCC(C)N(C)c1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C13H21N3O2/c1-5-6-9(2)16(3)12-7-10(13(17)18-4)11(14)8-15-12/h7-9H,5-6,14H2,1-4H3
InChIKeyXFZBDENADNNEAP-UHFFFAOYSA-N
XLogP2.08
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylate
CID 114090067
methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
CID 114090370
methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
CID 114089987
ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
CID 114090076
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
CID 114090078
ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
CID 114090073
methyl 4-amino-2-[methyl(pentan-2-yl)sulfamoyl]benzoate
CID 102930981
2-N-methyl-2-N-pentan-2-ylpyridine-2,5-diamine
CID 43571817
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate (CID 114090125) is methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate is CCCC(C)N(C)c1cc(C(=O)OC)c(N)cn1.
What is the InChIKey of methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate?
The InChIKey is XFZBDENADNNEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-6-9(2)16(3)12-7-10(13(17)18-4)11(14)8-15-12/h7-9H,5-6,14H2,1-4H3.
What are the key properties of methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate?
methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114090125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).