N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide

C22H23N3O3 — CID 109170260

IUPACN-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)N(C)Cc3ccccc3)ccn2)c1
InChIInChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)22(26)17-11-12-23-21(13-17)24-19-14-18(27-2)9-10-20(19)28-3/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyDHHLLFRPRYRYPD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.11
Rot. Bonds7

About N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide

N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide (PubChem CID 109170260) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
PubChem CID109170260
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)N(C)Cc3ccccc3)ccn2)c1
InChIInChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)22(26)17-11-12-23-21(13-17)24-19-14-18(27-2)9-10-20(19)28-3/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyDHHLLFRPRYRYPD-UHFFFAOYSA-N
XLogP4.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109170258
N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
CID 109170226
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109170764
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170343
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide (CID 109170260) is N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide is COc1ccc(OC)c(Nc2cc(C(=O)N(C)Cc3ccccc3)ccn2)c1.
What is the InChIKey of N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide?
The InChIKey is DHHLLFRPRYRYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)22(26)17-11-12-23-21(13-17)24-19-14-18(27-2)9-10-20(19)28-3/h4-14H,15H2,1-3H3,(H,23,24).
What are the key properties of N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide?
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109170260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).