N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide

C19H26N2O2 — CID 97364547

IUPACN-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21)C1CC1
InChIInChI=1S/C19H26N2O2/c22-19(15-8-9-15)20-17-13-21(11-14-5-2-1-3-6-14)12-16-7-4-10-23-18(16)17/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/t16-,17+,18-/m0/s1
InChIKeyJZCLUHGJPZZPCG-KSZLIROESA-N
MW314.43 g/mol
LogP2.19
Rot. Bonds4

About N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide

N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide (PubChem CID 97364547) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide
PubChem CID97364547
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21)C1CC1
InChIInChI=1S/C19H26N2O2/c22-19(15-8-9-15)20-17-13-21(11-14-5-2-1-3-6-14)12-16-7-4-10-23-18(16)17/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/t16-,17+,18-/m0/s1
InChIKeyJZCLUHGJPZZPCG-KSZLIROESA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide (CID 97364547) is N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide is O=C(N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21)C1CC1.
What is the InChIKey of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide?
The InChIKey is JZCLUHGJPZZPCG-KSZLIROESA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(15-8-9-15)20-17-13-21(11-14-5-2-1-3-6-14)12-16-7-4-10-23-18(16)17/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/t16-,17+,18-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide?
N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide is sourced from PubChem (CID 97364547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).