5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide

C18H20ClN3O2 — CID 18181364

IUPAC5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3ccncc3Cl)o2)C2CCN1CC2
InChIInChI=1S/C18H20ClN3O2/c1-11-17(12-5-8-22(11)9-6-12)21-18(23)16-3-2-15(24-16)13-4-7-20-10-14(13)19/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,21,23)
InChIKeyHINCAWYJVYJZCH-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.21
Rot. Bonds3

About 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide

5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (PubChem CID 18181364) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
PubChem CID18181364
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3ccncc3Cl)o2)C2CCN1CC2
InChIInChI=1S/C18H20ClN3O2/c1-11-17(12-5-8-22(11)9-6-12)21-18(23)16-3-2-15(24-16)13-4-7-20-10-14(13)19/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,21,23)
InChIKeyHINCAWYJVYJZCH-UHFFFAOYSA-N
XLogP3.21
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (CID 18181364) is 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is CC1C(NC(=O)c2ccc(-c3ccncc3Cl)o2)C2CCN1CC2.
What is the InChIKey of 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The InChIKey is HINCAWYJVYJZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-17(12-5-8-22(11)9-6-12)21-18(23)16-3-2-15(24-16)13-4-7-20-10-14(13)19/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,21,23).
What are the key properties of 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 18181364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).