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

C18H26N2O2 — CID 97367044

IUPAC(4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCNC(=O)[C@@H]1CCO[C@@H]2CCN(CCc3ccccc3)C[C@H]21
InChIInChI=1S/C18H26N2O2/c1-19-18(21)15-9-12-22-17-8-11-20(13-16(15)17)10-7-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,19,21)/t15-,16+,17-/m1/s1
InChIKeyCUWKLQFPWXZEPP-IXDOHACOSA-N
MW302.42 g/mol
LogP1.70
Rot. Bonds4

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

(4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97367044) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97367044
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCNC(=O)[C@@H]1CCO[C@@H]2CCN(CCc3ccccc3)C[C@H]21
InChIInChI=1S/C18H26N2O2/c1-19-18(21)15-9-12-22-17-8-11-20(13-16(15)17)10-7-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,19,21)/t15-,16+,17-/m1/s1
InChIKeyCUWKLQFPWXZEPP-IXDOHACOSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,4aR,8aR)-N-methyl-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,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97367044) is (4R,4aR,8aR)-N-methyl-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,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is CNC(=O)[C@@H]1CCO[C@@H]2CCN(CCc3ccccc3)C[C@H]21.
What is the InChIKey of (4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is CUWKLQFPWXZEPP-IXDOHACOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-18(21)15-9-12-22-17-8-11-20(13-16(15)17)10-7-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,19,21)/t15-,16+,17-/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-N-methyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97367044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).