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

C19H28N2O4 — CID 124782657

IUPAC(2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(CC3CCOCC3)C[C@H]2O1
InChIInChI=1S/C19H28N2O4/c22-19(20-11-16-2-1-7-24-16)17-10-15-3-6-21(13-18(15)25-17)12-14-4-8-23-9-5-14/h1-2,7,14-15,17-18H,3-6,8-13H2,(H,20,22)/t15-,17+,18-/m1/s1
InChIKeyUBQFJMBFTJLCMB-BPQIPLTHSA-N
MW348.44 g/mol
LogP1.80
Rot. Bonds5

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

(2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 124782657) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID124782657
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(CC3CCOCC3)C[C@H]2O1
InChIInChI=1S/C19H28N2O4/c22-19(20-11-16-2-1-7-24-16)17-10-15-3-6-21(13-18(15)25-17)12-14-4-8-23-9-5-14/h1-2,7,14-15,17-18H,3-6,8-13H2,(H,20,22)/t15-,17+,18-/m1/s1
InChIKeyUBQFJMBFTJLCMB-BPQIPLTHSA-N
XLogP1.80
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(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

(2R,3aS,7aR)-6-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366977
(2S,3aR,7aR)-6-(oxan-4-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124783187
(2S,3aR,7aR)-6-(cyclopropylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781569
(2S,3aR,7aR)-6-[(3,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155875490
(2S,3aR,7aR)-N-(furan-2-ylmethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131682949
(2S,3aR,7aR)-N-(furan-2-ylmethyl)-6-(1H-pyrrole-3-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131682993
(2R,3aS,7aR)-N-(furan-2-ylmethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366974
(2S,3aS,7aS)-N-(furan-2-ylmethyl)-6-[2-(1-hydroxycyclobutyl)acetyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131687012
(2S,3aS,7aS)-N-(furan-2-ylmethyl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840341
(2R,3aS,7aS)-N-(furan-2-ylmethyl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366549
(3aR,5S,7aR)-N-(furan-2-ylmethyl)-1-(oxan-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97364794
(2S,3aS,7aS)-6-(furan-3-ylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366695

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 124782657) is (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(CC3CCOCC3)C[C@H]2O1.
What is the InChIKey of (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UBQFJMBFTJLCMB-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-19(20-11-16-2-1-7-24-16)17-10-15-3-6-21(13-18(15)25-17)12-14-4-8-23-9-5-14/h1-2,7,14-15,17-18H,3-6,8-13H2,(H,20,22)/t15-,17+,18-/m1/s1.
What are the key properties of (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 124782657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).