3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide

C16H18FN3O — CID 62650730

IUPAC3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C16H18FN3O/c1-3-8-19-15-12(5-4-6-13(15)17)16(21)20-14-10-11(2)7-9-18-14/h4-7,9-10,19H,3,8H2,1-2H3,(H,18,20,21)
InChIKeyLCXQRAICQAXVOW-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.60
Rot. Bonds5

About 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide

3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide (PubChem CID 62650730) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
PubChem CID62650730
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C16H18FN3O/c1-3-8-19-15-12(5-4-6-13(15)17)16(21)20-14-10-11(2)7-9-18-14/h4-7,9-10,19H,3,8H2,1-2H3,(H,18,20,21)
InChIKeyLCXQRAICQAXVOW-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
CID 107595462
3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
CID 114914162
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide?
The IUPAC name of 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide (CID 62650730) is 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide?
The canonical SMILES for 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)Nc1cc(C)ccn1.
What is the InChIKey of 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide?
The InChIKey is LCXQRAICQAXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-8-19-15-12(5-4-6-13(15)17)16(21)20-14-10-11(2)7-9-18-14/h4-7,9-10,19H,3,8H2,1-2H3,(H,18,20,21).
What are the key properties of 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide?
3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide has a molecular weight of 287.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62650730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).