3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide

C23H28N2O6 — CID 130196636

IUPAC3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2COCC[C@@H](CCc3ccccc3)[C@H](C)OC2=O)c1O
InChIInChI=1S/C23H28N2O6/c1-15-17(9-8-16-6-4-3-5-7-16)11-13-30-14-18(23(28)31-15)25-22(27)20-21(26)19(29-2)10-12-24-20/h3-7,10,12,15,17-18,26H,8-9,11,13-14H2,1-2H3,(H,25,27)/t15-,17+,18-/m0/s1
InChIKeyBEGWEFQWLIODRU-JQHSSLGASA-N
MW428.49 g/mol
LogP2.50
Rot. Bonds6

About 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide (PubChem CID 130196636) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide
PubChem CID130196636
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2COCC[C@@H](CCc3ccccc3)[C@H](C)OC2=O)c1O
InChIInChI=1S/C23H28N2O6/c1-15-17(9-8-16-6-4-3-5-7-16)11-13-30-14-18(23(28)31-15)25-22(27)20-21(26)19(29-2)10-12-24-20/h3-7,10,12,15,17-18,26H,8-9,11,13-14H2,1-2H3,(H,25,27)/t15-,17+,18-/m0/s1
InChIKeyBEGWEFQWLIODRU-JQHSSLGASA-N
XLogP2.50
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3S,8R,9S)-8-benzyl-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130196633
[2-[[(3S,8R,9S)-8-benzyl-9-methyl-2-oxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 130196634
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-propoxy-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130198937
N-[(7R,8R,9S)-7-benzyl-9-methyl-8-(2-methylpropyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 134462101
N-[(3S,7R,8R,9S)-7-benzyl-9-methyl-8-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118653471
3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide
CID 121460465
N-(7-benzyl-8-hydroxy-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 20798330
N-[(7R,8S,9S)-7-benzyl-9-methyl-8-(2-methylpropoxymethyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 134462067
N-[(3S,7R,8S,9S)-7-benzyl-9-methyl-8-(2-methylpropoxymethyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118653443
N-[7-benzyl-8-[3-(dimethylamino)-3-oxopropoxy]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123329307
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
N-[8-benzyl-9-methyl-2-oxo-7-(phenylmethoxymethoxy)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123279127

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide (CID 130196636) is 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide is COc1ccnc(C(=O)N[C@H]2COCC[C@@H](CCc3ccccc3)[C@H](C)OC2=O)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide?
The InChIKey is BEGWEFQWLIODRU-JQHSSLGASA-N. The full InChI is InChI=1S/C23H28N2O6/c1-15-17(9-8-16-6-4-3-5-7-16)11-13-30-14-18(23(28)31-15)25-22(27)20-21(26)19(29-2)10-12-24-20/h3-7,10,12,15,17-18,26H,8-9,11,13-14H2,1-2H3,(H,25,27)/t15-,17+,18-/m0/s1.
What are the key properties of 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 130196636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).