8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid

C15H12N4O2 — CID 69101649

IUPAC8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2cncc(NCc3ccncc3)c2n1
InChIInChI=1S/C15H12N4O2/c20-15(21)12-2-1-11-8-17-9-13(14(11)19-12)18-7-10-3-5-16-6-4-10/h1-6,8-9,18H,7H2,(H,20,21)
InChIKeyBGWANFLVFICWNT-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds4

About 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid

8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid (PubChem CID 69101649) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid
PubChem CID69101649
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2cncc(NCc3ccncc3)c2n1
InChIInChI=1S/C15H12N4O2/c20-15(21)12-2-1-11-8-17-9-13(14(11)19-12)18-7-10-3-5-16-6-4-10/h1-6,8-9,18H,7H2,(H,20,21)
InChIKeyBGWANFLVFICWNT-UHFFFAOYSA-N
XLogP2.34
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid (CID 69101649) is 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid is O=C(O)c1ccc2cncc(NCc3ccncc3)c2n1.
What is the InChIKey of 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is BGWANFLVFICWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)12-2-1-11-8-17-9-13(14(11)19-12)18-7-10-3-5-16-6-4-10/h1-6,8-9,18H,7H2,(H,20,21).
What are the key properties of 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid?
8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-4-ylmethylamino)-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 69101649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).