N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide

C22H23N3O3 — CID 109156396

IUPACN-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)22(26)17-9-12-21(23-14-17)24-18-10-11-19(27-2)20(13-18)28-3/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyDEXKTYQLWQXHCP-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.11
Rot. Bonds7

About N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide

N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109156396) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID109156396
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)22(26)17-9-12-21(23-14-17)24-18-10-11-19(27-2)20(13-18)28-3/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyDEXKTYQLWQXHCP-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-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-benzyl-2-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
CID 109170226
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide (CID 109156396) is N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1OC.
What is the InChIKey of N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is DEXKTYQLWQXHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)22(26)17-9-12-21(23-14-17)24-18-10-11-19(27-2)20(13-18)28-3/h4-14H,15H2,1-3H3,(H,23,24).
What are the key properties of N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide?
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-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-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109156396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).