3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide

C23H30N2O4 — CID 23566950

IUPAC3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cccc(CC3CC(C)(C)OC(C)(C)C3)c2)c1O
InChIInChI=1S/C23H30N2O4/c1-22(2)13-16(14-23(3,4)29-22)11-15-7-6-8-17(12-15)25-21(27)19-20(26)18(28-5)9-10-24-19/h6-10,12,16,26H,11,13-14H2,1-5H3,(H,25,27)
InChIKeyDYNISUVHTHXOMW-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.57
Rot. Bonds5

About 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide (PubChem CID 23566950) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide
PubChem CID23566950
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cccc(CC3CC(C)(C)OC(C)(C)C3)c2)c1O
InChIInChI=1S/C23H30N2O4/c1-22(2)13-16(14-23(3,4)29-22)11-15-7-6-8-17(12-15)25-21(27)19-20(26)18(28-5)9-10-24-19/h6-10,12,16,26H,11,13-14H2,1-5H3,(H,25,27)
InChIKeyDYNISUVHTHXOMW-UHFFFAOYSA-N
XLogP4.57
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 129104491
3-hydroxy-4-methoxy-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 11244594
N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 18682229
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
3-hydroxy-4-methoxy-N-pyridin-2-ylpyridine-2-carboxamide
CID 21088884
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
3-hydroxy-4-methoxy-N-[3-methyl-4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 69497629
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408851
N-(7-benzyl-8-hydroxy-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 20798330

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide (CID 23566950) is 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide is COc1ccnc(C(=O)Nc2cccc(CC3CC(C)(C)OC(C)(C)C3)c2)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is DYNISUVHTHXOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-22(2)13-16(14-23(3,4)29-22)11-15-7-6-8-17(12-15)25-21(27)19-20(26)18(28-5)9-10-24-19/h6-10,12,16,26H,11,13-14H2,1-5H3,(H,25,27).
What are the key properties of 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[3-[(2,2,6,6-tetramethyloxan-4-yl)methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 23566950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).