6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid

C16H15N5O2 — CID 90288835

IUPAC6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1
InChIInChI=1S/C16H15N5O2/c1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h3-9H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyDXVWKALIMWEZMI-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.98
Rot. Bonds4

About 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid

6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid (PubChem CID 90288835) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
PubChem CID90288835
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1
InChIInChI=1S/C16H15N5O2/c1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h3-9H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyDXVWKALIMWEZMI-UHFFFAOYSA-N
XLogP2.98
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid (CID 90288835) is 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid is CC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1.
What is the InChIKey of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is DXVWKALIMWEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h3-9H,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 90288835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).