N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide

C17H20N2O3 — CID 32893963

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(C)n2)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-12-6-5-7-15(18-12)17(20)19(2)11-13-8-9-14(21-3)10-16(13)22-4/h5-10H,11H2,1-4H3
InChIKeySTUBFINXBKTWNU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.68
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 32893963) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID32893963
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(C)n2)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-12-6-5-7-15(18-12)17(20)19(2)11-13-8-9-14(21-3)10-16(13)22-4/h5-10H,11H2,1-4H3
InChIKeySTUBFINXBKTWNU-UHFFFAOYSA-N
XLogP2.68
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881544
2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617472
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
3-[[[(2,4-dimethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111297308
N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 18111743
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide (CID 32893963) is N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide is COc1ccc(CN(C)C(=O)c2cccc(C)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is STUBFINXBKTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-6-5-7-15(18-12)17(20)19(2)11-13-8-9-14(21-3)10-16(13)22-4/h5-10H,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 32893963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).