2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid

C17H13N3O3S — CID 170751210

IUPAC2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)c1sc2cnccc2c1-c1cccc(C2CC2C(=O)O)n1
InChIInChI=1S/C17H13N3O3S/c18-16(21)15-14(8-4-5-19-7-13(8)24-15)12-3-1-2-11(20-12)9-6-10(9)17(22)23/h1-5,7,9-10H,6H2,(H2,18,21)(H,22,23)
InChIKeyDLZWARLBYUXMCN-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.65
Rot. Bonds4

About 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid

2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 170751210) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID170751210
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)c1sc2cnccc2c1-c1cccc(C2CC2C(=O)O)n1
InChIInChI=1S/C17H13N3O3S/c18-16(21)15-14(8-4-5-19-7-13(8)24-15)12-3-1-2-11(20-12)9-6-10(9)17(22)23/h1-5,7,9-10H,6H2,(H2,18,21)(H,22,23)
InChIKeyDLZWARLBYUXMCN-UHFFFAOYSA-N
XLogP2.65
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid (CID 170751210) is 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid is NC(=O)c1sc2cnccc2c1-c1cccc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is DLZWARLBYUXMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c18-16(21)15-14(8-4-5-19-7-13(8)24-15)12-3-1-2-11(20-12)9-6-10(9)17(22)23/h1-5,7,9-10H,6H2,(H2,18,21)(H,22,23).
What are the key properties of 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 339.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-carbamoylthieno[2,3-c]pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 170751210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).