(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C17H23N3O2 — CID 97365100

IUPAC(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-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(Cc2cccnc2)C1
InChIInChI=1S/C17H23N3O2/c21-17(19-14-3-4-14)13-8-16-15(5-7-22-16)20(11-13)10-12-2-1-6-18-9-12/h1-2,6,9,13-16H,3-5,7-8,10-11H2,(H,19,21)/t13-,15+,16+/m0/s1
InChIKeyWAVVEYLCGGQDGI-NUEKZKHPSA-N
MW301.39 g/mol
LogP1.34
Rot. Bonds4

About (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97365100) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97365100
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-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(Cc2cccnc2)C1
InChIInChI=1S/C17H23N3O2/c21-17(19-14-3-4-14)13-8-16-15(5-7-22-16)20(11-13)10-12-2-1-6-18-9-12/h1-2,6,9,13-16H,3-5,7-8,10-11H2,(H,19,21)/t13-,15+,16+/m0/s1
InChIKeyWAVVEYLCGGQDGI-NUEKZKHPSA-N
XLogP1.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97365100) is (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-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(Cc2cccnc2)C1.
What is the InChIKey of (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is WAVVEYLCGGQDGI-NUEKZKHPSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-17(19-14-3-4-14)13-8-16-15(5-7-22-16)20(11-13)10-12-2-1-6-18-9-12/h1-2,6,9,13-16H,3-5,7-8,10-11H2,(H,19,21)/t13-,15+,16+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97365100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).