3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one

C10H15FN2O — CID 86684897

IUPAC3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(CN)c(C(C)C)c1F
InChIInChI=1S/C10H15FN2O/c1-5(2)8-7(4-12)10(14)13-6(3)9(8)11/h5H,4,12H2,1-3H3,(H,13,14)
InChIKeyCSLOYYSPDKEONH-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.40
Rot. Bonds2

About 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one

3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one (PubChem CID 86684897) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
PubChem CID86684897
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(CN)c(C(C)C)c1F
InChIInChI=1S/C10H15FN2O/c1-5(2)8-7(4-12)10(14)13-6(3)9(8)11/h5H,4,12H2,1-3H3,(H,13,14)
InChIKeyCSLOYYSPDKEONH-UHFFFAOYSA-N
XLogP1.40
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one (CID 86684897) is 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one is Cc1[nH]c(=O)c(CN)c(C(C)C)c1F.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
The InChIKey is CSLOYYSPDKEONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-5(2)8-7(4-12)10(14)13-6(3)9(8)11/h5H,4,12H2,1-3H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one has a molecular weight of 198.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 86684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).