(2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide

C20H17FN6O3 — CID 58015499

IUPAC(2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide
SMILESCc1cc(-c2cnc(NNC(=O)[C@@H](C)n3ccc4ncccc4c3=O)c(F)c2)on1
InChIInChI=1S/C20H17FN6O3/c1-11-8-17(30-26-11)13-9-15(21)18(23-10-13)24-25-19(28)12(2)27-7-5-16-14(20(27)29)4-3-6-22-16/h3-10,12H,1-2H3,(H,23,24)(H,25,28)/t12-/m1/s1
InChIKeyVYSKOYNATMSCQS-GFCCVEGCSA-N
MW408.39 g/mol
LogP2.60
Rot. Bonds5

About (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide

(2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide (PubChem CID 58015499) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide
PubChem CID58015499
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name(2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide
SMILESCc1cc(-c2cnc(NNC(=O)[C@@H](C)n3ccc4ncccc4c3=O)c(F)c2)on1
InChIInChI=1S/C20H17FN6O3/c1-11-8-17(30-26-11)13-9-15(21)18(23-10-13)24-25-19(28)12(2)27-7-5-16-14(20(27)29)4-3-6-22-16/h3-10,12H,1-2H3,(H,23,24)(H,25,28)/t12-/m1/s1
InChIKeyVYSKOYNATMSCQS-GFCCVEGCSA-N
XLogP2.60
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide?
The IUPAC name of (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide (CID 58015499) is (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide.
What is the SMILES notation for (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide?
The canonical SMILES for (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide is Cc1cc(-c2cnc(NNC(=O)[C@@H](C)n3ccc4ncccc4c3=O)c(F)c2)on1.
What is the InChIKey of (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide?
The InChIKey is VYSKOYNATMSCQS-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-11-8-17(30-26-11)13-9-15(21)18(23-10-13)24-25-19(28)12(2)27-7-5-16-14(20(27)29)4-3-6-22-16/h3-10,12H,1-2H3,(H,23,24)(H,25,28)/t12-/m1/s1.
What are the key properties of (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide?
(2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide has a molecular weight of 408.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-2-(5-oxo-1,6-naphthyridin-6-yl)propanehydrazide is sourced from PubChem (CID 58015499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).