4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

C22H23N3O3 — CID 109220006

IUPAC4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3c(C)cccc3C)c2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)25-22(26)18-12-17(10-11-23-18)24-16-8-9-19(27-3)20(13-16)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyNGZDHEYYVCOEGM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.71
Rot. Bonds6

About 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109220006) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109220006
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3c(C)cccc3C)c2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)25-22(26)18-12-17(10-11-23-18)24-16-8-9-19(27-3)20(13-16)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyNGZDHEYYVCOEGM-UHFFFAOYSA-N
XLogP4.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
4-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220005
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109222036
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
4-[4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220014
N-(2-ethyl-6-methylphenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109220361
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (CID 109220006) is 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)Nc3c(C)cccc3C)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is NGZDHEYYVCOEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)25-22(26)18-12-17(10-11-23-18)24-16-8-9-19(27-3)20(13-16)28-4/h5-13H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109220006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).