(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C19H23N3O3 — CID 98780452

IUPAC(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCc1cccc(CN2C[C@H]3C[C@@H](C(=O)NCc4ccco4)[C@@H](C2)O3)n1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-5-14(21-13)10-22-11-16-8-17(18(12-22)25-16)19(23)20-9-15-6-3-7-24-15/h2-7,16-18H,8-12H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1
InChIKeyRSCUWESSQWJLFV-KZNAEPCWSA-N
MW341.41 g/mol
LogP1.89
Rot. Bonds5

About (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 98780452) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID98780452
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCc1cccc(CN2C[C@H]3C[C@@H](C(=O)NCc4ccco4)[C@@H](C2)O3)n1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-5-14(21-13)10-22-11-16-8-17(18(12-22)25-16)19(23)20-9-15-6-3-7-24-15/h2-7,16-18H,8-12H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1
InChIKeyRSCUWESSQWJLFV-KZNAEPCWSA-N
XLogP1.89
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide with MolForge

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Related Compounds

(1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 124787804
3-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131663587
(1S,5S,6R)-N-(cyclopropylmethyl)-3-(pyridin-2-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98779831
(1S,5S,6R)-N,3-bis(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780019
(1S,5R,6S)-3-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155563671
(1S,5R,6R)-N-benzyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143196
N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131648483
(3aS,4S,7aS)-N-(furan-2-ylmethyl)-6-[(3-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155875982
(3aS,7S,7aS)-N-(furan-2-ylmethyl)-2-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 124783307
(1S,5R,6S)-3-benzyl-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155553389
(1S,5S,6S)-3-benzyl-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780108
(1R,5S,6S)-3-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155851330

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 98780452) is (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is Cc1cccc(CN2C[C@H]3C[C@@H](C(=O)NCc4ccco4)[C@@H](C2)O3)n1.
What is the InChIKey of (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is RSCUWESSQWJLFV-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-2-5-14(21-13)10-22-11-16-8-17(18(12-22)25-16)19(23)20-9-15-6-3-7-24-15/h2-7,16-18H,8-12H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1.
What are the key properties of (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 98780452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).