3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate

C17H22N2O3S — CID 155458075

IUPAC3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCc1ccnc2cc(C(=O)NCCC(=O)OCCC(C)C)sc12
InChIInChI=1S/C17H22N2O3S/c1-11(2)6-9-22-15(20)5-8-19-17(21)14-10-13-16(23-14)12(3)4-7-18-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,21)
InChIKeyIXOORKZJWUWBCH-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.31
Rot. Bonds7

About 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate

3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (PubChem CID 155458075) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Name3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
PubChem CID155458075
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCc1ccnc2cc(C(=O)NCCC(=O)OCCC(C)C)sc12
InChIInChI=1S/C17H22N2O3S/c1-11(2)6-9-22-15(20)5-8-19-17(21)14-10-13-16(23-14)12(3)4-7-18-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,21)
InChIKeyIXOORKZJWUWBCH-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 155570685
propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 155457985
2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 175191731
benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155458095
benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155457965
methyl 2-amino-3-[(7-bromothieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 175200890
methyl (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155458087
(2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;methyl (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 161100630
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628117
4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 55041484
3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115327426

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (CID 155458075) is 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is Cc1ccnc2cc(C(=O)NCCC(=O)OCCC(C)C)sc12.
What is the InChIKey of 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The InChIKey is IXOORKZJWUWBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11(2)6-9-22-15(20)5-8-19-17(21)14-10-13-16(23-14)12(3)4-7-18-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,21).
What are the key properties of 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate has a molecular weight of 334.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 155458075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).