N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

C21H21N3O2 — CID 109233098

IUPACN-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cncc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-24(15-16-8-4-3-5-9-16)21(25)17-12-18(14-22-13-17)23-19-10-6-7-11-20(19)26-2/h3-14,23H,15H2,1-2H3
InChIKeyMWDFEIYNXXVTEI-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.11
Rot. Bonds6

About N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109233098) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID109233098
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cncc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-24(15-16-8-4-3-5-9-16)21(25)17-12-18(14-22-13-17)23-19-10-6-7-11-20(19)26-2/h3-14,23H,15H2,1-2H3
InChIKeyMWDFEIYNXXVTEI-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109240290
N,N-diethyl-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109238813
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233093
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235843
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (CID 109233098) is N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is COc1ccccc1Nc1cncc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is MWDFEIYNXXVTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24(15-16-8-4-3-5-9-16)21(25)17-12-18(14-22-13-17)23-19-10-6-7-11-20(19)26-2/h3-14,23H,15H2,1-2H3.
What are the key properties of N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109233098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).