propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate

C14H16N2O2S — CID 102742043

IUPACpropan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate
SMILESCc1ccc(-c2nccc(C(=O)OC(C)C)c2N)s1
InChIInChI=1S/C14H16N2O2S/c1-8(2)18-14(17)10-6-7-16-13(12(10)15)11-5-4-9(3)19-11/h4-8H,15H2,1-3H3
InChIKeyYFRNJZKYDMFKSQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.27
Rot. Bonds3

About propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate

propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate (PubChem CID 102742043) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate
PubChem CID102742043
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namepropan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate
SMILESCc1ccc(-c2nccc(C(=O)OC(C)C)c2N)s1
InChIInChI=1S/C14H16N2O2S/c1-8(2)18-14(17)10-6-7-16-13(12(10)15)11-5-4-9(3)19-11/h4-8H,15H2,1-3H3
InChIKeyYFRNJZKYDMFKSQ-UHFFFAOYSA-N
XLogP3.27
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 102854164
ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate
CID 102742023
propan-2-yl 4-amino-2,3-dimethylbenzoate
CID 174509771
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
propan-2-yl 2-amino-3-bromo-5-methylbenzoate
CID 60835807
propan-2-yl 2-amino-3-fluoro-5-methylbenzoate
CID 60835805
propan-2-yl 4-methylpyrimidine-2-carboxylate
CID 130832729
propan-2-yl 4-amino-2-fluoropyridine-3-carboxylate
CID 133058783
ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate
CID 63398487
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-amino-2-bromopyridine-4-carboxylate
CID 136843458
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
propan-2-yl 2-amino-3-(trifluoromethyl)benzoate
CID 60837934

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate?
The IUPAC name of propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate (CID 102742043) is propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate is Cc1ccc(-c2nccc(C(=O)OC(C)C)c2N)s1.
What is the InChIKey of propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate?
The InChIKey is YFRNJZKYDMFKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8(2)18-14(17)10-6-7-16-13(12(10)15)11-5-4-9(3)19-11/h4-8H,15H2,1-3H3.
What are the key properties of propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate?
propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 102742043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).