methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate

C15H17N3O2S — CID 114405715

IUPACmethyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H17N3O2S/c1-20-15(19)13-5-4-12(16)14(17-13)18(11-2-3-11)8-10-6-7-21-9-10/h4-7,9,11H,2-3,8,16H2,1H3
InChIKeyDYSIRHPZOSTVCM-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.68
Rot. Bonds5

About methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate (PubChem CID 114405715) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate
PubChem CID114405715
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Namemethyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H17N3O2S/c1-20-15(19)13-5-4-12(16)14(17-13)18(11-2-3-11)8-10-6-7-21-9-10/h4-7,9,11H,2-3,8,16H2,1H3
InChIKeyDYSIRHPZOSTVCM-UHFFFAOYSA-N
XLogP2.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[2-cyanoethyl(cyclopropyl)amino]pyridine-2-carboxylate
CID 114406058
2-amino-5-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61438876
methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate
CID 114405553
6-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380172
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
CID 114405544
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
methyl 5-amino-6-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-2-carboxylate
CID 114405984
methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate
CID 46997202
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
CID 114406277
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
CID 61434320
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate (CID 114405715) is methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate?
The InChIKey is DYSIRHPZOSTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-15(19)13-5-4-12(16)14(17-13)18(11-2-3-11)8-10-6-7-21-9-10/h4-7,9,11H,2-3,8,16H2,1H3.
What are the key properties of methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114405715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).