3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide

C16H16F2N2O — CID 86827651

IUPAC3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-20(11-12-3-2-8-19-10-12)16(21)7-4-13-9-14(17)5-6-15(13)18/h2-3,5-6,8-10H,4,7,11H2,1H3
InChIKeySANMVVRUUFEUJU-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.95
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide

3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 86827651) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID86827651
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-20(11-12-3-2-8-19-10-12)16(21)7-4-13-9-14(17)5-6-15(13)18/h2-3,5-6,8-10H,4,7,11H2,1H3
InChIKeySANMVVRUUFEUJU-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666
4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86822663
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 110724799
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86822664
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 86827651) is 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide is CN(Cc1cccnc1)C(=O)CCc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SANMVVRUUFEUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-20(11-12-3-2-8-19-10-12)16(21)7-4-13-9-14(17)5-6-15(13)18/h2-3,5-6,8-10H,4,7,11H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 290.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 86827651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).