7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one

C18H15ClFN3O2 — CID 171556501

IUPAC7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCCC(=O)c1ncc(-c2cc3cnc(Cl)cc3n(C)c2=O)c(C)c1F
InChIInChI=1S/C18H15ClFN3O2/c1-4-14(24)17-16(20)9(2)12(8-22-17)11-5-10-7-21-15(19)6-13(10)23(3)18(11)25/h5-8H,4H2,1-3H3
InChIKeyRUSKSDVAMYEOMG-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.69
Rot. Bonds3

About 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one

7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 171556501) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one
PubChem CID171556501
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCCC(=O)c1ncc(-c2cc3cnc(Cl)cc3n(C)c2=O)c(C)c1F
InChIInChI=1S/C18H15ClFN3O2/c1-4-14(24)17-16(20)9(2)12(8-22-17)11-5-10-7-21-15(19)6-13(10)23(3)18(11)25/h5-8H,4H2,1-3H3
InChIKeyRUSKSDVAMYEOMG-UHFFFAOYSA-N
XLogP3.69
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[3-[6-[(E)-C-ethyl-N-hydroxycarbonimidoyl]-5-fluoro-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171556536
7-chloro-3-[6-(1-deuterio-1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
CID 171556464
7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one
CID 139396179
3-(6-butanoyl-4-methyl-3-pyridinyl)-7-chloro-1-(2-fluoroethyl)-1,6-naphthyridin-2-one
CID 166123434
7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one
CID 102144847
CID 171556512
CID 171556512
(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123829
3-(6-butanoyl-4-methyl-3-pyridinyl)-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one
CID 171556342
N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 174591274
cis-(1R,2R)-2-fluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123747
N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide
CID 171556549
1-(2-chloro-5-methyl-4-pyridinyl)propan-1-one
CID 170702285

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one (CID 171556501) is 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one is CCC(=O)c1ncc(-c2cc3cnc(Cl)cc3n(C)c2=O)c(C)c1F.
What is the InChIKey of 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is RUSKSDVAMYEOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-4-14(24)17-16(20)9(2)12(8-22-17)11-5-10-7-21-15(19)6-13(10)23(3)18(11)25/h5-8H,4H2,1-3H3.
What are the key properties of 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 359.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 171556501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).