(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C16H22N2O3 — CID 124785768

IUPAC(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1
InChIInChI=1S/C16H22N2O3/c19-16(17-13-1-2-13)12-7-15-14(4-6-21-15)18(9-12)8-11-3-5-20-10-11/h3,5,10,12-15H,1-2,4,6-9H2,(H,17,19)/t12-,14+,15+/m1/s1
InChIKeyJBRRNMVOHULBSQ-SNPRPXQTSA-N
MW290.36 g/mol
LogP1.54
Rot. Bonds4

About (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 124785768) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID124785768
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1
InChIInChI=1S/C16H22N2O3/c19-16(17-13-1-2-13)12-7-15-14(4-6-21-15)18(9-12)8-11-3-5-20-10-11/h3,5,10,12-15H,1-2,4,6-9H2,(H,17,19)/t12-,14+,15+/m1/s1
InChIKeyJBRRNMVOHULBSQ-SNPRPXQTSA-N
XLogP1.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 97362944
(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
(3aS,6R,7aS)-N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124796632
(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-[(3-methoxyphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155875892
(3aR,6S,7aR)-N-methyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 171696944
(3aR,6R,7aR)-N-(furan-2-ylmethyl)-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97362955
(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155841804
(3aS,6R,7aS)-N-pyrazin-2-yl-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124781486
(3aR,6S,7aR)-N-(furan-2-ylmethyl)-4-(pyridin-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155829213
[(3aS,6R,7aS)-4-(pyridin-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124786964
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365132
(3aR,6S,7aR)-N-methyl-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155829634

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 124785768) is (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1.
What is the InChIKey of (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is JBRRNMVOHULBSQ-SNPRPXQTSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(17-13-1-2-13)12-7-15-14(4-6-21-15)18(9-12)8-11-3-5-20-10-11/h3,5,10,12-15H,1-2,4,6-9H2,(H,17,19)/t12-,14+,15+/m1/s1.
What are the key properties of (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 124785768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).