benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate

C20H15N3O2S — CID 1009034

IUPACbenzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESNc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccnc3)ccc12
InChIInChI=1S/C20H15N3O2S/c21-17-15-8-9-16(14-7-4-10-22-11-14)23-19(15)26-18(17)20(24)25-12-13-5-2-1-3-6-13/h1-11H,12,21H2
InChIKeyZFYQISICQHEUPA-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.30
Rot. Bonds4

About benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate

benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1009034) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID1009034
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Namebenzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESNc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccnc3)ccc12
InChIInChI=1S/C20H15N3O2S/c21-17-15-8-9-16(14-7-4-10-22-11-14)23-19(15)26-18(17)20(24)25-12-13-5-2-1-3-6-13/h1-11H,12,21H2
InChIKeyZFYQISICQHEUPA-UHFFFAOYSA-N
XLogP4.30
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 14113060
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
ethyl 3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 4294749
3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 23999219
(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
CID 5117411
3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 21232420
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate (CID 1009034) is benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate is Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccnc3)ccc12.
What is the InChIKey of benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ZFYQISICQHEUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c21-17-15-8-9-16(14-7-4-10-22-11-14)23-19(15)26-18(17)20(24)25-12-13-5-2-1-3-6-13/h1-11H,12,21H2.
What are the key properties of benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 361.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1009034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).