5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide

C23H26FN3O2 — CID 53239442

IUPAC5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C23H26FN3O2/c1-4-11-27-15(3)20(14(2)19(13-25)23(27)29)22(28)26-21(16-7-5-8-16)17-9-6-10-18(24)12-17/h6,9-10,12,16,21H,4-5,7-8,11H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyTWNJHUIQMRRSDR-NRFANRHFSA-N
MW395.48 g/mol
LogP4.16
Rot. Bonds6

About 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide

5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide (PubChem CID 53239442) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
PubChem CID53239442
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C23H26FN3O2/c1-4-11-27-15(3)20(14(2)19(13-25)23(27)29)22(28)26-21(16-7-5-8-16)17-9-6-10-18(24)12-17/h6,9-10,12,16,21H,4-5,7-8,11H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyTWNJHUIQMRRSDR-NRFANRHFSA-N
XLogP4.16
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide (CID 53239442) is 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide is CCCn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The InChIKey is TWNJHUIQMRRSDR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-4-11-27-15(3)20(14(2)19(13-25)23(27)29)22(28)26-21(16-7-5-8-16)17-9-6-10-18(24)12-17/h6,9-10,12,16,21H,4-5,7-8,11H2,1-3H3,(H,26,28)/t21-/m0/s1.
What are the key properties of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide is sourced from PubChem (CID 53239442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).