N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide

C23H29N3O3 — CID 171359583

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)N1CCCC2OC(c3ccccc3)CC21
InChIInChI=1S/C23H29N3O3/c1-15-12-16(2)25-22(28-3)18(15)14-24-23(27)26-11-7-10-20-19(26)13-21(29-20)17-8-5-4-6-9-17/h4-6,8-9,12,19-21H,7,10-11,13-14H2,1-3H3,(H,24,27)
InChIKeyYRUUNADMXWFMKK-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.91
Rot. Bonds4

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide (PubChem CID 171359583) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide
PubChem CID171359583
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)N1CCCC2OC(c3ccccc3)CC21
InChIInChI=1S/C23H29N3O3/c1-15-12-16(2)25-22(28-3)18(15)14-24-23(27)26-11-7-10-20-19(26)13-21(29-20)17-8-5-4-6-9-17/h4-6,8-9,12,19-21H,7,10-11,13-14H2,1-3H3,(H,24,27)
InChIKeyYRUUNADMXWFMKK-UHFFFAOYSA-N
XLogP3.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide (CID 171359583) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide is COc1nc(C)cc(C)c1CNC(=O)N1CCCC2OC(c3ccccc3)CC21.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide?
The InChIKey is YRUUNADMXWFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-12-16(2)25-22(28-3)18(15)14-24-23(27)26-11-7-10-20-19(26)13-21(29-20)17-8-5-4-6-9-17/h4-6,8-9,12,19-21H,7,10-11,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-4-carboxamide is sourced from PubChem (CID 171359583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).