5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

C13H15FN2O — CID 122543657

IUPAC5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)c(C(C)C)cc2c(F)c1C
InChIInChI=1S/C13H15FN2O/c1-6(2)9-5-10-11(14)7(3)8(4)15-12(10)16-13(9)17/h5-6H,1-4H3,(H,15,16,17)
InChIKeyKBGHNUDMWBDTOB-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.80
Rot. Bonds1

About 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (PubChem CID 122543657) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
PubChem CID122543657
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)c(C(C)C)cc2c(F)c1C
InChIInChI=1S/C13H15FN2O/c1-6(2)9-5-10-11(14)7(3)8(4)15-12(10)16-13(9)17/h5-6H,1-4H3,(H,15,16,17)
InChIKeyKBGHNUDMWBDTOB-UHFFFAOYSA-N
XLogP2.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
N-(4,6-dimethylpyridin-2-yl)-3-fluorobenzamide
CID 2837038
N-(6-methyl-2-pyridinyl)benzamide
CID 293096
7-Amino-4-methyl-1,8-naphthyridin-2-ol
CID 5354050
5,7-dimethyl-1,8-naphthyridin-2(1H)-one
CID 5374405
7-Methyl-1,8-naphthyridin-2-ol
CID 5373675
N-(4,6-dimethylpyridin-2-yl)-2-fluorobenzamide
CID 790337
3-cyclopentyl-N-(4,6-dimethyl-2-pyridinyl)propanamide
CID 4184818
3,5-difluoro-N-(6-methylpyridin-2-yl)benzamide
CID 24246632
2,5-difluoro-N-(6-methylpyridin-2-yl)benzamide
CID 574934
4-fluoro-N-(6-methylpyridin-2-yl)benzamide
CID 790348

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (CID 122543657) is 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is Cc1nc2[nH]c(=O)c(C(C)C)cc2c(F)c1C.
What is the InChIKey of 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is KBGHNUDMWBDTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-6(2)9-5-10-11(14)7(3)8(4)15-12(10)16-13(9)17/h5-6H,1-4H3,(H,15,16,17).
What are the key properties of 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 122543657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).