(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

C19H21N3O4 — CID 124791142

IUPAC(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
SMILESO=C(NCc1ccco1)[C@@H]1C[C@@H]2OCC[C@@H]2N(C(=O)c2cccnc2)C1
InChIInChI=1S/C19H21N3O4/c23-18(21-11-15-4-2-7-25-15)14-9-17-16(5-8-26-17)22(12-14)19(24)13-3-1-6-20-10-13/h1-4,6-7,10,14,16-17H,5,8-9,11-12H2,(H,21,23)/t14-,16+,17+/m1/s1
InChIKeyGCEYDVILBVZXPW-PVAVHDDUSA-N
MW355.39 g/mol
LogP1.61
Rot. Bonds4

About (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

(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 (PubChem CID 124791142) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124791142
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(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
SMILESO=C(NCc1ccco1)[C@@H]1C[C@@H]2OCC[C@@H]2N(C(=O)c2cccnc2)C1
InChIInChI=1S/C19H21N3O4/c23-18(21-11-15-4-2-7-25-15)14-9-17-16(5-8-26-17)22(12-14)19(24)13-3-1-6-20-10-13/h1-4,6-7,10,14,16-17H,5,8-9,11-12H2,(H,21,23)/t14-,16+,17+/m1/s1
InChIKeyGCEYDVILBVZXPW-PVAVHDDUSA-N
XLogP1.61
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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-acetyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155876280
(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)-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
[(3aR,6S,7aR)-4-(pyridine-3-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97380381
(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-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)-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)-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
[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 98895158
(3aR,6S,7aR)-4-(3-chlorobenzoyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155872740

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(NCc1ccco1)[C@@H]1C[C@@H]2OCC[C@@H]2N(C(=O)c2cccnc2)C1.
What is the InChIKey of (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?
The InChIKey is GCEYDVILBVZXPW-PVAVHDDUSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-18(21-11-15-4-2-7-25-15)14-9-17-16(5-8-26-17)22(12-14)19(24)13-3-1-6-20-10-13/h1-4,6-7,10,14,16-17H,5,8-9,11-12H2,(H,21,23)/t14-,16+,17+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 355.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124791142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).