N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide

C20H18FN3O — CID 113032254

IUPACN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C20H18FN3O/c1-13-5-3-6-14(2)19(13)23-17-9-10-18(22-12-17)24-20(25)15-7-4-8-16(21)11-15/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyPLCZERZSKDXTOJ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

About N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide (PubChem CID 113032254) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
PubChem CID113032254
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C20H18FN3O/c1-13-5-3-6-14(2)19(13)23-17-9-10-18(22-12-17)24-20(25)15-7-4-8-16(21)11-15/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyPLCZERZSKDXTOJ-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032259
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113032265
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide (CID 113032254) is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide is Cc1cccc(C)c1Nc1ccc(NC(=O)c2cccc(F)c2)nc1.
What is the InChIKey of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide?
The InChIKey is PLCZERZSKDXTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-5-3-6-14(2)19(13)23-17-9-10-18(22-12-17)24-20(25)15-7-4-8-16(21)11-15/h3-12,23H,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide?
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide has a molecular weight of 335.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 113032254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).