N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide

C17H19FN2O — CID 91788479

IUPACN-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(CNC(=O)CCc2ccccc2F)cc(C)n1
InChIInChI=1S/C17H19FN2O/c1-12-9-14(10-13(2)20-12)11-19-17(21)8-7-15-5-3-4-6-16(15)18/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)
InChIKeyDCGNZGIQUDUARV-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.09
Rot. Bonds5

About N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide

N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide (PubChem CID 91788479) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
PubChem CID91788479
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(CNC(=O)CCc2ccccc2F)cc(C)n1
InChIInChI=1S/C17H19FN2O/c1-12-9-14(10-13(2)20-12)11-19-17(21)8-7-15-5-3-4-6-16(15)18/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)
InChIKeyDCGNZGIQUDUARV-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 33280259
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3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
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3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
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N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
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3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
CID 110781694
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945715

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide (CID 91788479) is N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide is Cc1cc(CNC(=O)CCc2ccccc2F)cc(C)n1.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is DCGNZGIQUDUARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-9-14(10-13(2)20-12)11-19-17(21)8-7-15-5-3-4-6-16(15)18/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21).
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide?
N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 91788479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).