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

C21H21N3O2 — CID 113032033

IUPACN-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-4-5-15(2)19(12-14)23-17-8-11-20(22-13-17)24-21(25)16-6-9-18(26-3)10-7-16/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeySTBSXGVCMRFTEB-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

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

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113032033) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
PubChem CID113032033
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-4-5-15(2)19(12-14)23-17-8-11-20(22-13-17)24-21(25)16-6-9-18(26-3)10-7-16/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeySTBSXGVCMRFTEB-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-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113016868
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032411
N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109266557
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide (CID 113032033) is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cc(C)ccc3C)cn2)cc1.
What is the InChIKey of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is STBSXGVCMRFTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-4-5-15(2)19(12-14)23-17-8-11-20(22-13-17)24-21(25)16-6-9-18(26-3)10-7-16/h4-13,23H,1-3H3,(H,22,24,25).
What are the key properties of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide?
N-[5-(2,5-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-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113032033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).