3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide

C19H23FN2O — CID 110355632

IUPAC3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
SMILESCC(C)CC(CC(=O)NCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-14(2)11-16(15-6-8-17(20)9-7-15)12-19(23)22-13-18-5-3-4-10-21-18/h3-10,14,16H,11-13H2,1-2H3,(H,22,23)
InChIKeyXXSFUSRYZQMCRW-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.06
Rot. Bonds7

About 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide

3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide (PubChem CID 110355632) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
PubChem CID110355632
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
SMILESCC(C)CC(CC(=O)NCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-14(2)11-16(15-6-8-17(20)9-7-15)12-19(23)22-13-18-5-3-4-10-21-18/h3-10,14,16H,11-13H2,1-2H3,(H,22,23)
InChIKeyXXSFUSRYZQMCRW-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
(2S)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 40697022
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
CID 97266337
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3880798
2-(4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 110296265
2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95316732
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide (CID 110355632) is 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide is CC(C)CC(CC(=O)NCc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide?
The InChIKey is XXSFUSRYZQMCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(2)11-16(15-6-8-17(20)9-7-15)12-19(23)22-13-18-5-3-4-10-21-18/h3-10,14,16H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide?
3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide has a molecular weight of 314.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide is sourced from PubChem (CID 110355632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).