3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol

C26H38N2O8 — CID 145114883

IUPAC3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol
SMILESCC(C)COC1COCCCC(=O)OC(C)C1.COc1ccnc(C(N)=O)c1O.Oc1ccccc1
InChIInChI=1S/C13H24O4.C7H8N2O3.C6H6O/c1-10(2)8-16-12-7-11(3)17-13(14)5-4-6-15-9-12;1-12-4-2-3-9-5(6(4)10)7(8)11;7-6-4-2-1-3-5-6/h10-12H,4-9H2,1-3H3;2-3,10H,1H3,(H2,8,11);1-5,7H
InChIKeySDCQHXDPXFBBJQ-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.45
Rot. Bonds5

About 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol

3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol (PubChem CID 145114883) has the molecular formula C26H38N2O8 and a molecular weight of 506.60 g/mol. Its IUPAC name is 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol.

Molecular Properties

Compound Name3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol
PubChem CID145114883
Molecular FormulaC26H38N2O8
Molecular Weight506.60 g/mol
Exact Mass506.26
IUPAC Name3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol
SMILESCC(C)COC1COCCCC(=O)OC(C)C1.COc1ccnc(C(N)=O)c1O.Oc1ccccc1
InChIInChI=1S/C13H24O4.C7H8N2O3.C6H6O/c1-10(2)8-16-12-7-11(3)17-13(14)5-4-6-15-9-12;1-12-4-2-3-9-5(6(4)10)7(8)11;7-6-4-2-1-3-5-6/h10-12H,4-9H2,1-3H3;2-3,10H,1H3,(H2,8,11);1-5,7H
InChIKeySDCQHXDPXFBBJQ-UHFFFAOYSA-N
XLogP3.45
TPSA150.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

7-benzyl-9-methyl-1,5-dioxonan-2-one;(2-chlorophenyl)methanol;3-hydroxy-4-methoxypyridine-2-carboxamide;3-methylbut-1-en-2-ol
CID 142045937
[4-methoxy-2-[[(3S)-9-methyl-7-(2-methylpropoxy)-2-oxo-1,5-dioxonan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl acetate;toluene
CID 144877331
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-7-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;toluene
CID 144995844
benzaldehyde;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;8-methoxy-10-methyloxecan-2-one;pentan-1-ol
CID 145114961
3-hydroxy-4-methoxy-N-[9-methyl-7-(2-methylpropoxy)-2-oxo-8-phenoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123654158
[4-methoxy-2-[2-[(3R,8S,9S,10S)-10-methyl-8-(2-methylpropoxy)-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]acetyl]-3-pyridinyl]oxymethyl acetate
CID 159637825
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
CID 145115424
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
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate
CID 145346574
[2-[2-[(3R,8S,9R,10S)-8-benzyl-10-methyl-9-(2-methylpropoxy)-2-oxo-1,6-dioxecan-3-yl]acetyl]-4-methoxy-3-pyridinyl]oxymethyl acetate
CID 160715470

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol?
The IUPAC name of 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol (CID 145114883) is 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol.
What is the SMILES notation for 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol?
The canonical SMILES for 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol is CC(C)COC1COCCCC(=O)OC(C)C1.COc1ccnc(C(N)=O)c1O.Oc1ccccc1.
What is the InChIKey of 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol?
The InChIKey is SDCQHXDPXFBBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.C7H8N2O3.C6H6O/c1-10(2)8-16-12-7-11(3)17-13(14)5-4-6-15-9-12;1-12-4-2-3-9-5(6(4)10)7(8)11;7-6-4-2-1-3-5-6/h10-12H,4-9H2,1-3H3;2-3,10H,1H3,(H2,8,11);1-5,7H.
What are the key properties of 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol?
3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol has a molecular weight of 506.60 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxypyridine-2-carboxamide;10-methyl-8-(2-methylpropoxy)-1,6-dioxecan-2-one;phenol is sourced from PubChem (CID 145114883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).