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

C21H21N3O4 — CID 113034694

IUPACN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(OC)cc3OC)cn2)c1
InChIInChI=1S/C21H21N3O4/c1-26-16-6-4-5-14(11-16)21(25)24-20-10-7-15(13-22-20)23-18-9-8-17(27-2)12-19(18)28-3/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeyIHYGJCIXBITSKK-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.10
Rot. Bonds7

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

N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide (PubChem CID 113034694) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
PubChem CID113034694
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(OC)cc3OC)cn2)c1
InChIInChI=1S/C21H21N3O4/c1-26-16-6-4-5-14(11-16)21(25)24-20-10-7-15(13-22-20)23-18-9-8-17(27-2)12-19(18)28-3/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeyIHYGJCIXBITSKK-UHFFFAOYSA-N
XLogP4.10
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide (CID 113034694) is N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccc(OC)cc3OC)cn2)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is IHYGJCIXBITSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-16-6-4-5-14(11-16)21(25)24-20-10-7-15(13-22-20)23-18-9-8-17(27-2)12-19(18)28-3/h4-13,23H,1-3H3,(H,22,24,25).
What are the key properties of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide?
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide has a molecular weight of 379.42 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113034694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).