(2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C21H30N2O3 — CID 97366485

IUPAC(2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1
InChIInChI=1S/C21H30N2O3/c24-21(22-13-16-7-10-25-11-8-16)19-12-18-6-9-23(15-20(18)26-19)14-17-4-2-1-3-5-17/h1-5,16,18-20H,6-15H2,(H,22,24)/t18-,19+,20+/m0/s1
InChIKeyMWSUBNRODVMWIK-XUVXKRRUSA-N
MW358.48 g/mol
LogP2.21
Rot. Bonds5

About (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366485) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366485
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1
InChIInChI=1S/C21H30N2O3/c24-21(22-13-16-7-10-25-11-8-16)19-12-18-6-9-23(15-20(18)26-19)14-17-4-2-1-3-5-17/h1-5,16,18-20H,6-15H2,(H,22,24)/t18-,19+,20+/m0/s1
InChIKeyMWSUBNRODVMWIK-XUVXKRRUSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(diphenylmethyl)oxolane-2-carboxamide
CID 3155117
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 43020166
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 45847116
(2S,3aS,7aR)-6-benzyl-N-cyclopropyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97364898
(2R,3aS,7aS)-N-cyclopropyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366525
(2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366638
[(2S,3aS,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366672
(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366729
(2S,3aS,7aS)-6-benzyl-N-cyclopropyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366737
(2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366878
(2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366883
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366897

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366485) is (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1.
What is the InChIKey of (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is MWSUBNRODVMWIK-XUVXKRRUSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-21(22-13-16-7-10-25-11-8-16)19-12-18-6-9-23(15-20(18)26-19)14-17-4-2-1-3-5-17/h1-5,16,18-20H,6-15H2,(H,22,24)/t18-,19+,20+/m0/s1.
What are the key properties of (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-6-benzyl-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).