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

C13H21N3O2 — CID 114089987

IUPACmethyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
SMILESCCCCN(CC)c1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C13H21N3O2/c1-4-6-7-16(5-2)12-8-10(13(17)18-3)11(14)9-15-12/h8-9H,4-7,14H2,1-3H3
InChIKeyVIGWLNKFONNBDT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds6

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

methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate (PubChem CID 114089987) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
PubChem CID114089987
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
SMILESCCCCN(CC)c1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C13H21N3O2/c1-4-6-7-16(5-2)12-8-10(13(17)18-3)11(14)9-15-12/h8-9H,4-7,14H2,1-3H3
InChIKeyVIGWLNKFONNBDT-UHFFFAOYSA-N
XLogP2.08
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
CID 114090125
ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
CID 114090078
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
2-N-ethyl-2-N-propylpyridine-2,4,5-triamine
CID 144872693
ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
CID 114090076
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241
5-amino-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxamide
CID 114090298
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
methyl 2-amino-5-[3-(dimethylamino)propyl-ethylamino]-4-fluorobenzoate
CID 102995958
methyl 4-[(2-amino-2-oxoethyl)-butylamino]pyrimidine-5-carboxylate
CID 114214276

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate (CID 114089987) is methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate is CCCCN(CC)c1cc(C(=O)OC)c(N)cn1.
What is the InChIKey of methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate?
The InChIKey is VIGWLNKFONNBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-6-7-16(5-2)12-8-10(13(17)18-3)11(14)9-15-12/h8-9H,4-7,14H2,1-3H3.
What are the key properties of methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate?
methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114089987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).