4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide

C20H21N3OS — CID 134178907

IUPAC4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cc4c(cn3)CCCCCCC4)cncc2s1
InChIInChI=1S/C20H21N3OS/c21-20(24)18-9-15-16(11-22-12-19(15)25-18)17-8-13-6-4-2-1-3-5-7-14(13)10-23-17/h8-12H,1-7H2,(H2,21,24)
InChIKeyCNPYFGGWTHFYJR-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.51
Rot. Bonds2

About 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide

4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 134178907) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID134178907
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cc4c(cn3)CCCCCCC4)cncc2s1
InChIInChI=1S/C20H21N3OS/c21-20(24)18-9-15-16(11-22-12-19(15)25-18)17-8-13-6-4-2-1-3-5-7-14(13)10-23-17/h8-12H,1-7H2,(H2,21,24)
InChIKeyCNPYFGGWTHFYJR-UHFFFAOYSA-N
XLogP4.51
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide
CID 134178919
4-phenylthieno[2,3-c]pyridine-2-carboxamide;propane
CID 91467405
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
4-pyridin-3-yloxythieno[2,3-c]pyridine-2-carboxamide
CID 18516131
4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 70209128
4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide
CID 123624865
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 20594232
4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
CID 58622460
1-(4-aminothieno[2,3-c]pyridin-2-yl)ethanone
CID 82402692
4-(5-benzyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 143138176
4-(4-chloro-2-methylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
CID 10267925

Frequently Asked Questions

What is the IUPAC name of 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide (CID 134178907) is 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(-c3cc4c(cn3)CCCCCCC4)cncc2s1.
What is the InChIKey of 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is CNPYFGGWTHFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c21-20(24)18-9-15-16(11-22-12-19(15)25-18)17-8-13-6-4-2-1-3-5-7-14(13)10-23-17/h8-12H,1-7H2,(H2,21,24).
What are the key properties of 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 134178907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).