5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide

C19H23N3O2 — CID 71451983

IUPAC5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)o1
InChIInChI=1S/C19H23N3O2/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyDXMALUSHFXOICC-FUHWJXTLSA-N
MW325.41 g/mol
LogP2.42
Rot. Bonds4

About 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide

5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide (PubChem CID 71451983) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide
PubChem CID71451983
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)o1
InChIInChI=1S/C19H23N3O2/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyDXMALUSHFXOICC-FUHWJXTLSA-N
XLogP2.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide (CID 71451983) is 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide is Cc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)o1.
What is the InChIKey of 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide?
The InChIKey is DXMALUSHFXOICC-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1.
What are the key properties of 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide?
5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide is sourced from PubChem (CID 71451983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).