3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one

C14H14N2O2 — CID 171509912

IUPAC3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one
SMILESCCC(=O)c1cnc2cc(C3CC3)c(=O)[nH]c2c1
InChIInChI=1S/C14H14N2O2/c1-2-13(17)9-5-12-11(15-7-9)6-10(8-3-4-8)14(18)16-12/h5-8H,2-4H2,1H3,(H,16,18)
InChIKeyHTOJDTKORCTDQG-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.39
Rot. Bonds3

About 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one

3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one (PubChem CID 171509912) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one
PubChem CID171509912
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one
SMILESCCC(=O)c1cnc2cc(C3CC3)c(=O)[nH]c2c1
InChIInChI=1S/C14H14N2O2/c1-2-13(17)9-5-12-11(15-7-9)6-10(8-3-4-8)14(18)16-12/h5-8H,2-4H2,1H3,(H,16,18)
InChIKeyHTOJDTKORCTDQG-UHFFFAOYSA-N
XLogP2.39
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one (CID 171509912) is 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one is CCC(=O)c1cnc2cc(C3CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one?
The InChIKey is HTOJDTKORCTDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-13(17)9-5-12-11(15-7-9)6-10(8-3-4-8)14(18)16-12/h5-8H,2-4H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one?
3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one has a molecular weight of 242.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 171509912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).