3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide

C16H18FN3O — CID 113024101

IUPAC3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O/c1-11(2)9-18-14-6-7-15(19-10-14)20-16(21)12-4-3-5-13(17)8-12/h3-8,10-11,18H,9H2,1-2H3,(H,19,20,21)
InChIKeyUPCLKLYJNARLCQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.54
Rot. Bonds5

About 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide

3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide (PubChem CID 113024101) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
PubChem CID113024101
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O/c1-11(2)9-18-14-6-7-15(19-10-14)20-16(21)12-4-3-5-13(17)8-12/h3-8,10-11,18H,9H2,1-2H3,(H,19,20,21)
InChIKeyUPCLKLYJNARLCQ-UHFFFAOYSA-N
XLogP3.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide (CID 113024101) is 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide is CC(C)CNc1ccc(NC(=O)c2cccc(F)c2)nc1.
What is the InChIKey of 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
The InChIKey is UPCLKLYJNARLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(2)9-18-14-6-7-15(19-10-14)20-16(21)12-4-3-5-13(17)8-12/h3-8,10-11,18H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide?
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide has a molecular weight of 287.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113024101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).