(4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

C20H28N2O2 — CID 97367186

IUPAC(4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(CCc3ccccc3)C[C@@H]21
InChIInChI=1S/C20H28N2O2/c23-20(21-16-6-7-16)17-10-13-24-19-9-12-22(14-18(17)19)11-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18-,19-/m1/s1
InChIKeyYNLWNKGLLJQYJD-GUDVDZBRSA-N
MW328.46 g/mol
LogP2.23
Rot. Bonds5

About (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

(4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97367186) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97367186
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(CCc3ccccc3)C[C@@H]21
InChIInChI=1S/C20H28N2O2/c23-20(21-16-6-7-16)17-10-13-24-19-9-12-22(14-18(17)19)11-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18-,19-/m1/s1
InChIKeyYNLWNKGLLJQYJD-GUDVDZBRSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97367186) is (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(CCc3ccccc3)C[C@@H]21.
What is the InChIKey of (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is YNLWNKGLLJQYJD-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-16-6-7-16)17-10-13-24-19-9-12-22(14-18(17)19)11-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18-,19-/m1/s1.
What are the key properties of (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,8aR)-N-cyclopropyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97367186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).