6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

C20H25N3O3 — CID 109098012

IUPAC6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)11-12-21-19(24)17-5-4-6-18(23-17)20(25)22-13-15-7-9-16(26-3)10-8-15/h4-10,14H,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFMCHGGHOOKGRNL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.80
Rot. Bonds8

About 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (PubChem CID 109098012) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
PubChem CID109098012
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)11-12-21-19(24)17-5-4-6-18(23-17)20(25)22-13-15-7-9-16(26-3)10-8-15/h4-10,14H,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFMCHGGHOOKGRNL-UHFFFAOYSA-N
XLogP2.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
6-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109093839
5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109190476
6-N-(4-methoxyphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097550
6-N-(3-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109098040
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (CID 109098012) is 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is COc1ccc(CNC(=O)c2cccc(C(=O)NCCC(C)C)n2)cc1.
What is the InChIKey of 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The InChIKey is FMCHGGHOOKGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)11-12-21-19(24)17-5-4-6-18(23-17)20(25)22-13-15-7-9-16(26-3)10-8-15/h4-10,14H,11-13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).