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

C20H18N4O2 — CID 97463663

IUPAC3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccnc2)ncc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C20H18N4O2/c25-20(26)18-17-5-8-24(12-14-3-1-6-21-9-14)13-16(17)11-23-19(18)15-4-2-7-22-10-15/h1-4,6-7,9-11H,5,8,12-13H2,(H,25,26)
InChIKeyIXGMINKOCMHYSA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.80
Rot. Bonds4

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

3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463663) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463663
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccnc2)ncc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C20H18N4O2/c25-20(26)18-17-5-8-24(12-14-3-1-6-21-9-14)13-16(17)11-23-19(18)15-4-2-7-22-10-15/h1-4,6-7,9-11H,5,8,12-13H2,(H,25,26)
InChIKeyIXGMINKOCMHYSA-UHFFFAOYSA-N
XLogP2.80
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463663) is 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(-c2cccnc2)ncc2c1CCN(Cc1cccnc1)C2.
What is the InChIKey of 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is IXGMINKOCMHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20(26)18-17-5-8-24(12-14-3-1-6-21-9-14)13-16(17)11-23-19(18)15-4-2-7-22-10-15/h1-4,6-7,9-11H,5,8,12-13H2,(H,25,26).
What are the key properties of 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).