N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide

C21H21N3O2 — CID 113017268

IUPACN-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C)c3C)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-19(15(14)2)24-20-12-9-17(13-22-20)23-21(25)16-7-10-18(26-3)11-8-16/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyFJXDDUIWZDWPNB-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide (PubChem CID 113017268) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
PubChem CID113017268
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C)c3C)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-19(15(14)2)24-20-12-9-17(13-22-20)23-21(25)16-7-10-18(26-3)11-8-16/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyFJXDDUIWZDWPNB-UHFFFAOYSA-N
XLogP4.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109162768
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113022276
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109162787
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113016868
6-(3,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide (CID 113017268) is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cccc(C)c3C)nc2)cc1.
What is the InChIKey of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide?
The InChIKey is FJXDDUIWZDWPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-5-4-6-19(15(14)2)24-20-12-9-17(13-22-20)23-21(25)16-7-10-18(26-3)11-8-16/h4-13H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide?
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113017268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).