methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate

C14H17N3O2S — CID 106014430

IUPACmethyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
SMILESCCc1ccc(CNc2nc(C(=O)OC)ccc2N)s1
InChIInChI=1S/C14H17N3O2S/c1-3-9-4-5-10(20-9)8-16-13-11(15)6-7-12(17-13)14(18)19-2/h4-7H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyCVMANFVQDUAPPM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.69
Rot. Bonds5

About methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate

methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate (PubChem CID 106014430) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
PubChem CID106014430
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Namemethyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
SMILESCCc1ccc(CNc2nc(C(=O)OC)ccc2N)s1
InChIInChI=1S/C14H17N3O2S/c1-3-9-4-5-10(20-9)8-16-13-11(15)6-7-12(17-13)14(18)19-2/h4-7H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyCVMANFVQDUAPPM-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
CID 114408077
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
methyl 5-amino-2-[(5-ethylthiophen-2-yl)methylamino]benzoate
CID 106014379
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
ethyl 2-[(5-ethylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106006503
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
CID 107420380

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate (CID 106014430) is methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate is CCc1ccc(CNc2nc(C(=O)OC)ccc2N)s1.
What is the InChIKey of methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
The InChIKey is CVMANFVQDUAPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-9-4-5-10(20-9)8-16-13-11(15)6-7-12(17-13)14(18)19-2/h4-7H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 106014430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).