1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one

C14H16FN3O2 — CID 137457663

IUPAC1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCOc1cnc(-n2cccc(NC(C)C)c2=O)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9(2)17-12-5-4-6-18(14(12)19)13-11(15)7-10(20-3)8-16-13/h4-9,17H,1-3H3
InChIKeyCAMKKKMBAXHMIU-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.20
Rot. Bonds4

About 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one

1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457663) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457663
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCOc1cnc(-n2cccc(NC(C)C)c2=O)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9(2)17-12-5-4-6-18(14(12)19)13-11(15)7-10(20-3)8-16-13/h4-9,17H,1-3H3
InChIKeyCAMKKKMBAXHMIU-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one (CID 137457663) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one is COc1cnc(-n2cccc(NC(C)C)c2=O)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is CAMKKKMBAXHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9(2)17-12-5-4-6-18(14(12)19)13-11(15)7-10(20-3)8-16-13/h4-9,17H,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one?
1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 277.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).