N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide

C20H18FN3O3 — CID 113035879

IUPACN-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-17-8-6-13(10-18(17)27-2)20(25)24-19-9-7-16(12-22-19)23-15-5-3-4-14(21)11-15/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyRXXGVBIQULTXTA-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.23
Rot. Bonds6

About N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide

N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 113035879) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID113035879
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-17-8-6-13(10-18(17)27-2)20(25)24-19-9-7-16(12-22-19)23-15-5-3-4-14(21)11-15/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyRXXGVBIQULTXTA-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

Analyze N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide (CID 113035879) is N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)cc1OC.
What is the InChIKey of N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is RXXGVBIQULTXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-17-8-6-13(10-18(17)27-2)20(25)24-19-9-7-16(12-22-19)23-15-5-3-4-14(21)11-15/h3-12,23H,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide 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-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113035879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).