(3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

C19H24N2O4 — CID 124781145

IUPAC(3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CO[C@@H]2CCN(Cc3ccoc3)C[C@@H]2C1
InChIInChI=1S/C19H24N2O4/c22-19(20-9-17-2-1-6-24-17)16-8-15-11-21(5-3-18(15)25-13-16)10-14-4-7-23-12-14/h1-2,4,6-7,12,15-16,18H,3,5,8-11,13H2,(H,20,22)/t15-,16-,18+/m0/s1
InChIKeyBJCXUNLJNADMCK-XYJFISCASA-N
MW344.41 g/mol
LogP2.42
Rot. Bonds5

About (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

(3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (PubChem CID 124781145) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
PubChem CID124781145
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CO[C@@H]2CCN(Cc3ccoc3)C[C@@H]2C1
InChIInChI=1S/C19H24N2O4/c22-19(20-9-17-2-1-6-24-17)16-8-15-11-21(5-3-18(15)25-13-16)10-14-4-7-23-12-14/h1-2,4,6-7,12,15-16,18H,3,5,8-11,13H2,(H,20,22)/t15-,16-,18+/m0/s1
InChIKeyBJCXUNLJNADMCK-XYJFISCASA-N
XLogP2.42
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124783065
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
(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
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
(3aR,6S,7aR)-N,4-bis(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380410
(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124830929
(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
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565

Frequently Asked Questions

What is the IUPAC name of (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The IUPAC name of (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (CID 124781145) is (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is O=C(NCc1ccco1)[C@@H]1CO[C@@H]2CCN(Cc3ccoc3)C[C@@H]2C1.
What is the InChIKey of (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The InChIKey is BJCXUNLJNADMCK-XYJFISCASA-N. The full InChI is InChI=1S/C19H24N2O4/c22-19(20-9-17-2-1-6-24-17)16-8-15-11-21(5-3-18(15)25-13-16)10-14-4-7-23-12-14/h1-2,4,6-7,12,15-16,18H,3,5,8-11,13H2,(H,20,22)/t15-,16-,18+/m0/s1.
What are the key properties of (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
(3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aS,8aR)-N-(furan-2-ylmethyl)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 124781145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).