phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

C17H14N2O3S — CID 19057256

IUPACphenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1ccc2c(N)c(C(=O)OCC(=O)c3ccccc3)sc2n1
InChIInChI=1S/C17H14N2O3S/c1-10-7-8-12-14(18)15(23-16(12)19-10)17(21)22-9-13(20)11-5-3-2-4-6-11/h2-8H,9,18H2,1H3
InChIKeyRLDMAYKINNCLGU-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.23
Rot. Bonds4

About phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 19057256) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namephenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID19057256
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Namephenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1ccc2c(N)c(C(=O)OCC(=O)c3ccccc3)sc2n1
InChIInChI=1S/C17H14N2O3S/c1-10-7-8-12-14(18)15(23-16(12)19-10)17(21)22-9-13(20)11-5-3-2-4-6-11/h2-8H,9,18H2,1H3
InChIKeyRLDMAYKINNCLGU-UHFFFAOYSA-N
XLogP3.23
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057251
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 17436057
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-methoxybenzoate
CID 87047663
2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83215440
ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 2747019
N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 158878428
ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 139231552
N-(4-acetamidophenyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23944865
3-amino-N-(4-hydroxybutan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 83180766

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 19057256) is phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate is Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccccc3)sc2n1.
What is the InChIKey of phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is RLDMAYKINNCLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-10-7-8-12-14(18)15(23-16(12)19-10)17(21)22-9-13(20)11-5-3-2-4-6-11/h2-8H,9,18H2,1H3.
What are the key properties of phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 326.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 19057256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).