5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile

C24H25FN4O2 — CID 123311678

IUPAC5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CNC(c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1C#N
InChIInChI=1S/C24H25FN4O2/c1-15-20(12-26)24(30)29(14-22-27-9-10-31-22)16(2)21(15)13-28-23(17-5-3-6-17)18-7-4-8-19(25)11-18/h4,7-11,17,23,28H,3,5-6,13-14H2,1-2H3
InChIKeyWGLJWICJNQMQED-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.14
Rot. Bonds7

About 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile

5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 123311678) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile
PubChem CID123311678
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CNC(c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1C#N
InChIInChI=1S/C24H25FN4O2/c1-15-20(12-26)24(30)29(14-22-27-9-10-31-22)16(2)21(15)13-28-23(17-5-3-6-17)18-7-4-8-19(25)11-18/h4,7-11,17,23,28H,3,5-6,13-14H2,1-2H3
InChIKeyWGLJWICJNQMQED-UHFFFAOYSA-N
XLogP4.14
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile (CID 123311678) is 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile is Cc1c(CNC(c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1C#N.
What is the InChIKey of 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is WGLJWICJNQMQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-15-20(12-26)24(30)29(14-22-27-9-10-31-22)16(2)21(15)13-28-23(17-5-3-6-17)18-7-4-8-19(25)11-18/h4,7-11,17,23,28H,3,5-6,13-14H2,1-2H3.
What are the key properties of 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile?
5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 420.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[cyclobutyl-(3-fluorophenyl)methyl]amino]methyl]-4,6-dimethyl-1-(1,3-oxazol-2-ylmethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 123311678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).