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

C16H18N2O3S — CID 155570685

IUPACcyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCc1ccnc2cc(C(=O)NCCC(=O)OCC3CC3)sc12
InChIInChI=1S/C16H18N2O3S/c1-10-4-6-17-12-8-13(22-15(10)12)16(20)18-7-5-14(19)21-9-11-2-3-11/h4,6,8,11H,2-3,5,7,9H2,1H3,(H,18,20)
InChIKeyASGOQQYPHXRBSK-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.68
Rot. Bonds6

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

cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (PubChem CID 155570685) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
PubChem CID155570685
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namecyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCc1ccnc2cc(C(=O)NCCC(=O)OCC3CC3)sc12
InChIInChI=1S/C16H18N2O3S/c1-10-4-6-17-12-8-13(22-15(10)12)16(20)18-7-5-14(19)21-9-11-2-3-11/h4,6,8,11H,2-3,5,7,9H2,1H3,(H,18,20)
InChIKeyASGOQQYPHXRBSK-UHFFFAOYSA-N
XLogP2.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (CID 155570685) is cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is Cc1ccnc2cc(C(=O)NCCC(=O)OCC3CC3)sc12.
What is the InChIKey of cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The InChIKey is ASGOQQYPHXRBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-4-6-17-12-8-13(22-15(10)12)16(20)18-7-5-14(19)21-9-11-2-3-11/h4,6,8,11H,2-3,5,7,9H2,1H3,(H,18,20).
What are the key properties of cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate has a molecular weight of 318.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 155570685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).