2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide

C23H23N3O6 — CID 155884619

IUPAC2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3O)n2)c1O
InChIInChI=1S/C23H23N3O6/c1-31-18-10-3-6-14(20(18)27)12-24-22(29)16-8-5-9-17(26-16)23(30)25-13-15-7-4-11-19(32-2)21(15)28/h3-11,27-28H,12-13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyWROOFJOLZZAAAP-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.37
Rot. Bonds8

About 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 155884619) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
PubChem CID155884619
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3O)n2)c1O
InChIInChI=1S/C23H23N3O6/c1-31-18-10-3-6-14(20(18)27)12-24-22(29)16-8-5-9-17(26-16)23(30)25-13-15-7-4-11-19(32-2)21(15)28/h3-11,27-28H,12-13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyWROOFJOLZZAAAP-UHFFFAOYSA-N
XLogP2.37
TPSA130.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
6-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097991
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109097655
6-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109097988
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 9151041
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
2-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148029
2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide
CID 167959226
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381219

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide (CID 155884619) is 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide is COc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3O)n2)c1O.
What is the InChIKey of 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is WROOFJOLZZAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-31-18-10-3-6-14(20(18)27)12-24-22(29)16-8-5-9-17(26-16)23(30)25-13-15-7-4-11-19(32-2)21(15)28/h3-11,27-28H,12-13H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 437.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 155884619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).