3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide

C20H19FN4O — CID 113013512

IUPAC3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C20H19FN4O/c1-25(12-9-15-7-10-22-11-8-15)19-6-5-18(14-23-19)24-20(26)16-3-2-4-17(21)13-16/h2-8,10-11,13-14H,9,12H2,1H3,(H,24,26)
InChIKeyXZNJPKALZVAYHH-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.55
Rot. Bonds6

About 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide

3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide (PubChem CID 113013512) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
PubChem CID113013512
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C20H19FN4O/c1-25(12-9-15-7-10-22-11-8-15)19-6-5-18(14-23-19)24-20(26)16-3-2-4-17(21)13-16/h2-8,10-11,13-14H,9,12H2,1H3,(H,24,26)
InChIKeyXZNJPKALZVAYHH-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]pyridine-3-carboxamide
CID 113013535
2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013518
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021177
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea
CID 113013548
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide (CID 113013512) is 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide is CN(CCc1ccncc1)c1ccc(NC(=O)c2cccc(F)c2)cn1.
What is the InChIKey of 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
The InChIKey is XZNJPKALZVAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-25(12-9-15-7-10-22-11-8-15)19-6-5-18(14-23-19)24-20(26)16-3-2-4-17(21)13-16/h2-8,10-11,13-14H,9,12H2,1H3,(H,24,26).
What are the key properties of 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113013512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).