2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide

C20H24N2O5 — CID 91765136

IUPAC2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)n1
InChIInChI=1S/C20H24N2O5/c1-24-18-9-8-15(20(22-18)25-2)19(23)21-16-10-11-26-13-17(16)27-12-14-6-4-3-5-7-14/h3-9,16-17H,10-13H2,1-2H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyUCYKDRAEMFJRJB-IAGOWNOFSA-N
MW372.42 g/mol
LogP2.20
Rot. Bonds7

About 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide

2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide (PubChem CID 91765136) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
PubChem CID91765136
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)n1
InChIInChI=1S/C20H24N2O5/c1-24-18-9-8-15(20(22-18)25-2)19(23)21-16-10-11-26-13-17(16)27-12-14-6-4-3-5-7-14/h3-9,16-17H,10-13H2,1-2H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyUCYKDRAEMFJRJB-IAGOWNOFSA-N
XLogP2.20
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide (CID 91765136) is 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide?
The InChIKey is UCYKDRAEMFJRJB-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-18-9-8-15(20(22-18)25-2)19(23)21-16-10-11-26-13-17(16)27-12-14-6-4-3-5-7-14/h3-9,16-17H,10-13H2,1-2H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide?
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91765136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).