7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C18H19N3O3 — CID 118745644

IUPAC7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccncc2)ncc2c1CCN(C1CCOC1)C2
InChIInChI=1S/C18H19N3O3/c22-18(23)16-15-3-7-21(14-4-8-24-11-14)10-13(15)9-20-17(16)12-1-5-19-6-2-12/h1-2,5-6,9,14H,3-4,7-8,10-11H2,(H,22,23)
InChIKeyBDTUYVCSRAPMEC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.99
Rot. Bonds3

About 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 118745644) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID118745644
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccncc2)ncc2c1CCN(C1CCOC1)C2
InChIInChI=1S/C18H19N3O3/c22-18(23)16-15-3-7-21(14-4-8-24-11-14)10-13(15)9-20-17(16)12-1-5-19-6-2-12/h1-2,5-6,9,14H,3-4,7-8,10-11H2,(H,22,23)
InChIKeyBDTUYVCSRAPMEC-UHFFFAOYSA-N
XLogP1.99
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 118745644) is 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(-c2ccncc2)ncc2c1CCN(C1CCOC1)C2.
What is the InChIKey of 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is BDTUYVCSRAPMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18(23)16-15-3-7-21(14-4-8-24-11-14)10-13(15)9-20-17(16)12-1-5-19-6-2-12/h1-2,5-6,9,14H,3-4,7-8,10-11H2,(H,22,23).
What are the key properties of 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 118745644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).