(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

C19H26N2O5 — CID 131687012

IUPAC(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
SMILESO=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2O1
InChIInChI=1S/C19H26N2O5/c22-17(10-19(24)5-2-6-19)21-7-4-13-9-15(26-16(13)12-21)18(23)20-11-14-3-1-8-25-14/h1,3,8,13,15-16,24H,2,4-7,9-12H2,(H,20,23)/t13-,15-,16+/m0/s1
InChIKeyUHTKLLONIJGUSS-CWRNSKLLSA-N
MW362.43 g/mol
LogP1.21
Rot. Bonds5

About (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

(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 (PubChem CID 131687012) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID131687012
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name(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
SMILESO=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2O1
InChIInChI=1S/C19H26N2O5/c22-17(10-19(24)5-2-6-19)21-7-4-13-9-15(26-16(13)12-21)18(23)20-11-14-3-1-8-25-14/h1,3,8,13,15-16,24H,2,4-7,9-12H2,(H,20,23)/t13-,15-,16+/m0/s1
InChIKeyUHTKLLONIJGUSS-CWRNSKLLSA-N
XLogP1.21
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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)-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,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
(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
(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
(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
(3aS,7aR)-6-[2-(1-hydroxycyclobutyl)acetyl]-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131683406
(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
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
(2S,3aS,7aS)-6-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366835
(2S)-N,8-bis(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422219

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2O1.
What is the InChIKey of (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?
The InChIKey is UHTKLLONIJGUSS-CWRNSKLLSA-N. The full InChI is InChI=1S/C19H26N2O5/c22-17(10-19(24)5-2-6-19)21-7-4-13-9-15(26-16(13)12-21)18(23)20-11-14-3-1-8-25-14/h1,3,8,13,15-16,24H,2,4-7,9-12H2,(H,20,23)/t13-,15-,16+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 362.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 131687012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).