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

C20H18FN3O3 — CID 113034755

IUPACN-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-17-9-7-15(11-18(17)27-2)23-16-8-10-19(22-12-16)24-20(25)13-3-5-14(21)6-4-13/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeySVJQUZBXGZLLSG-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.23
Rot. Bonds6

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

N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide (PubChem CID 113034755) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
PubChem CID113034755
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-17-9-7-15(11-18(17)27-2)23-16-8-10-19(22-12-16)24-20(25)13-3-5-14(21)6-4-13/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeySVJQUZBXGZLLSG-UHFFFAOYSA-N
XLogP4.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide (CID 113034755) is N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide is COc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide?
The InChIKey is SVJQUZBXGZLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-17-9-7-15(11-18(17)27-2)23-16-8-10-19(22-12-16)24-20(25)13-3-5-14(21)6-4-13/h3-12,23H,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide?
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide has a molecular weight of 367.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 113034755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).