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

C19H21N3O3 — CID 97463665

IUPAC7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccnc2)ncc2c1CCN(C[C@H]1CCOC1)C2
InChIInChI=1S/C19H21N3O3/c23-19(24)17-16-3-6-22(10-13-4-7-25-12-13)11-15(16)9-21-18(17)14-2-1-5-20-8-14/h1-2,5,8-9,13H,3-4,6-7,10-12H2,(H,23,24)/t13-/m1/s1
InChIKeyBNGGNBOEMWLBSH-CYBMUJFWSA-N
MW339.39 g/mol
LogP2.24
Rot. Bonds4

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

7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463665) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463665
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccnc2)ncc2c1CCN(C[C@H]1CCOC1)C2
InChIInChI=1S/C19H21N3O3/c23-19(24)17-16-3-6-22(10-13-4-7-25-12-13)11-15(16)9-21-18(17)14-2-1-5-20-8-14/h1-2,5,8-9,13H,3-4,6-7,10-12H2,(H,23,24)/t13-/m1/s1
InChIKeyBNGGNBOEMWLBSH-CYBMUJFWSA-N
XLogP2.24
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid with MolForge

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Related Compounds

7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463659
1-(oxolan-3-ylmethyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642508
7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389658
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide
CID 118742120
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 118742099
7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389655
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
CID 118742142
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 118742141
2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole
CID 131658569
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
CID 133336067
6-(oxan-3-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154569743
1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride
CID 171689999

Frequently Asked Questions

What is the IUPAC name of 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463665) is 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(-c2cccnc2)ncc2c1CCN(C[C@H]1CCOC1)C2.
What is the InChIKey of 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is BNGGNBOEMWLBSH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(24)17-16-3-6-22(10-13-4-7-25-12-13)11-15(16)9-21-18(17)14-2-1-5-20-8-14/h1-2,5,8-9,13H,3-4,6-7,10-12H2,(H,23,24)/t13-/m1/s1.
What are the key properties of 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).