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

C19H31N3O3 — CID 134689546

IUPAC(3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCCN(CC)CCN1C[C@@H](C(=O)NCc2ccco2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C19H31N3O3/c1-3-21(4-2)8-9-22-14-15(12-18-17(22)7-11-25-18)19(23)20-13-16-6-5-10-24-16/h5-6,10,15,17-18H,3-4,7-9,11-14H2,1-2H3,(H,20,23)/t15-,17-,18-/m0/s1
InChIKeyTYKVDJMGVVRXSQ-SZMVWBNQSA-N
MW349.48 g/mol
LogP1.72
Rot. Bonds8

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

(3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 134689546) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID134689546
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCCN(CC)CCN1C[C@@H](C(=O)NCc2ccco2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C19H31N3O3/c1-3-21(4-2)8-9-22-14-15(12-18-17(22)7-11-25-18)19(23)20-13-16-6-5-10-24-16/h5-6,10,15,17-18H,3-4,7-9,11-14H2,1-2H3,(H,20,23)/t15-,17-,18-/m0/s1
InChIKeyTYKVDJMGVVRXSQ-SZMVWBNQSA-N
XLogP1.72
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-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,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
(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
(3aS,6R,7aS)-4-(cyclopentylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124783284
(3aR,6S,7aR)-4-ethylsulfonyl-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380428
(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,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)-N-(furan-2-ylmethyl)-4-(1-methylimidazol-4-yl)sulfonyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155879162
(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
(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
(3aR,6S,7aR)-4-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365129
(3aS,6R,7aS)-N-(furan-2-ylmethyl)-4-(pyridine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124794705
(3aS,6R,7aS)-N-(furan-2-ylmethyl)-4-(pyridine-3-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124791142

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 134689546) is (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is CCN(CC)CCN1C[C@@H](C(=O)NCc2ccco2)C[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is TYKVDJMGVVRXSQ-SZMVWBNQSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-3-21(4-2)8-9-22-14-15(12-18-17(22)7-11-25-18)19(23)20-13-16-6-5-10-24-16/h5-6,10,15,17-18H,3-4,7-9,11-14H2,1-2H3,(H,20,23)/t15-,17-,18-/m0/s1.
What are the key properties of (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-4-[2-(diethylamino)ethyl]-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 134689546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).