methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate

C14H16N2O2S — CID 103702630

IUPACmethyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
SMILESCCc1ccc(CNc2ccnc(C(=O)OC)c2)s1
InChIInChI=1S/C14H16N2O2S/c1-3-11-4-5-12(19-11)9-16-10-6-7-15-13(8-10)14(17)18-2/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyXXGIUGKNADHKJM-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.10
Rot. Bonds5

About methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate

methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate (PubChem CID 103702630) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
PubChem CID103702630
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
SMILESCCc1ccc(CNc2ccnc(C(=O)OC)c2)s1
InChIInChI=1S/C14H16N2O2S/c1-3-11-4-5-12(19-11)9-16-10-6-7-15-13(8-10)14(17)18-2/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyXXGIUGKNADHKJM-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 66285848
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 106010377
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
CID 79492915
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 106014430
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate (CID 103702630) is methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate is CCc1ccc(CNc2ccnc(C(=O)OC)c2)s1.
What is the InChIKey of methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
The InChIKey is XXGIUGKNADHKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-11-4-5-12(19-11)9-16-10-6-7-15-13(8-10)14(17)18-2/h4-8H,3,9H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate?
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 103702630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).