(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C16H21N3O3 — CID 97362803

IUPAC(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C16H21N3O3/c1-12(20)19-7-4-14-16(11-19,5-8-22-14)15(21)18-10-13-3-2-6-17-9-13/h2-3,6,9,14H,4-5,7-8,10-11H2,1H3,(H,18,21)/t14-,16-/m1/s1
InChIKeyNVYLGJNJYSCRAU-GDBMZVCRSA-N
MW303.36 g/mol
LogP0.73
Rot. Bonds3

About (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362803) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362803
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C16H21N3O3/c1-12(20)19-7-4-14-16(11-19,5-8-22-14)15(21)18-10-13-3-2-6-17-9-13/h2-3,6,9,14H,4-5,7-8,10-11H2,1H3,(H,18,21)/t14-,16-/m1/s1
InChIKeyNVYLGJNJYSCRAU-GDBMZVCRSA-N
XLogP0.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Related Compounds

1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide
CID 154866666
(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387292
2-[(3S,3aS,6aS)-5-acetyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97483084
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 109148778
2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 110094614
(3aS,7aS)-5-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124781282
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963508
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362803) is (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1.
What is the InChIKey of (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is NVYLGJNJYSCRAU-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)19-7-4-14-16(11-19,5-8-22-14)15(21)18-10-13-3-2-6-17-9-13/h2-3,6,9,14H,4-5,7-8,10-11H2,1H3,(H,18,21)/t14-,16-/m1/s1.
What are the key properties of (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).