N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide

C21H21N3O2 — CID 113032108

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(C)c(C)c3)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-4-7-17(12-15(14)2)23-18-8-11-20(22-13-18)24-21(25)16-5-9-19(26-3)10-6-16/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeyDWXQXJABSZCLOJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide

N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113032108) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
PubChem CID113032108
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(C)c(C)c3)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-4-7-17(12-15(14)2)23-18-8-11-20(22-13-18)24-21(25)16-5-9-19(26-3)10-6-16/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeyDWXQXJABSZCLOJ-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-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109160931
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide (CID 113032108) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(C)c(C)c3)cn2)cc1.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is DWXQXJABSZCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-4-7-17(12-15(14)2)23-18-8-11-20(22-13-18)24-21(25)16-5-9-19(26-3)10-6-16/h4-13,23H,1-3H3,(H,22,24,25).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
N-[5-(3,4-dimethylanilino)-2-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-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113032108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).