4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide

C16H18ClN3O2S — CID 166252213

IUPAC4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc3c(Cl)cncc3s2)CCCCC1
InChIInChI=1S/C16H18ClN3O2S/c1-18-15(22)16(5-3-2-4-6-16)20-14(21)12-7-10-11(17)8-19-9-13(10)23-12/h7-9H,2-6H2,1H3,(H,18,22)(H,20,21)
InChIKeyDJTJOQBUCMRUDP-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide

4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 166252213) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID166252213
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc3c(Cl)cncc3s2)CCCCC1
InChIInChI=1S/C16H18ClN3O2S/c1-18-15(22)16(5-3-2-4-6-16)20-14(21)12-7-10-11(17)8-19-9-13(10)23-12/h7-9H,2-6H2,1H3,(H,18,22)(H,20,21)
InChIKeyDJTJOQBUCMRUDP-UHFFFAOYSA-N
XLogP3.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide (CID 166252213) is 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide is CNC(=O)C1(NC(=O)c2cc3c(Cl)cncc3s2)CCCCC1.
What is the InChIKey of 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is DJTJOQBUCMRUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-18-15(22)16(5-3-2-4-6-16)20-14(21)12-7-10-11(17)8-19-9-13(10)23-12/h7-9H,2-6H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide?
4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166252213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).