methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate

C15H19N3O2S — CID 114405921

IUPACmethyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
SMILESCCCC(Nc1nc(C(=O)OC)ccc1N)c1cccs1
InChIInChI=1S/C15H19N3O2S/c1-3-5-11(13-6-4-9-21-13)17-14-10(16)7-8-12(18-14)15(19)20-2/h4,6-9,11H,3,5,16H2,1-2H3,(H,17,18)
InChIKeyZIAOLSZNNBPAOZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.47
Rot. Bonds6

About methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate

methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate (PubChem CID 114405921) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
PubChem CID114405921
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Namemethyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
SMILESCCCC(Nc1nc(C(=O)OC)ccc1N)c1cccs1
InChIInChI=1S/C15H19N3O2S/c1-3-5-11(13-6-4-9-21-13)17-14-10(16)7-8-12(18-14)15(19)20-2/h4,6-9,11H,3,5,16H2,1-2H3,(H,17,18)
InChIKeyZIAOLSZNNBPAOZ-UHFFFAOYSA-N
XLogP3.47
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
CID 114408015
4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
CID 63357349
6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
CID 62161925
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine
CID 80897742
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate (CID 114405921) is methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate is CCCC(Nc1nc(C(=O)OC)ccc1N)c1cccs1.
What is the InChIKey of methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate?
The InChIKey is ZIAOLSZNNBPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-5-11(13-6-4-9-21-13)17-14-10(16)7-8-12(18-14)15(19)20-2/h4,6-9,11H,3,5,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate?
methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate is sourced from PubChem (CID 114405921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).