5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide

C16H11ClFN3O2S — CID 11516086

IUPAC5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCOc1ncc(Cl)cc1-c1ccc(C(=O)Nc2ccncc2F)s1
InChIInChI=1S/C16H11ClFN3O2S/c1-23-16-10(6-9(17)7-20-16)13-2-3-14(24-13)15(22)21-12-4-5-19-8-11(12)18/h2-8H,1H3,(H,19,21,22)
InChIKeyZDLMXOGDJFFDLU-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.26
Rot. Bonds4

About 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide

5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 11516086) has the molecular formula C16H11ClFN3O2S and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
PubChem CID11516086
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC Name5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCOc1ncc(Cl)cc1-c1ccc(C(=O)Nc2ccncc2F)s1
InChIInChI=1S/C16H11ClFN3O2S/c1-23-16-10(6-9(17)7-20-16)13-2-3-14(24-13)15(22)21-12-4-5-19-8-11(12)18/h2-8H,1H3,(H,19,21,22)
InChIKeyZDLMXOGDJFFDLU-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide (CID 11516086) is 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide is COc1ncc(Cl)cc1-c1ccc(C(=O)Nc2ccncc2F)s1.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is ZDLMXOGDJFFDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c1-23-16-10(6-9(17)7-20-16)13-2-3-14(24-13)15(22)21-12-4-5-19-8-11(12)18/h2-8H,1H3,(H,19,21,22).
What are the key properties of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 11516086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).