N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide

C23H18ClN3O2 — CID 20932384

IUPACN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccc2ccccc12
InChIInChI=1S/C23H18ClN3O2/c24-18-10-8-17(9-11-18)21-12-13-22(28)27(26-21)15-14-25-23(29)20-7-3-5-16-4-1-2-6-19(16)20/h1-13H,14-15H2,(H,25,29)
InChIKeyBLNWPGLIKKHZCY-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.15
Rot. Bonds5

About N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 20932384) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide
PubChem CID20932384
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccc2ccccc12
InChIInChI=1S/C23H18ClN3O2/c24-18-10-8-17(9-11-18)21-12-13-22(28)27(26-21)15-14-25-23(29)20-7-3-5-16-4-1-2-6-19(16)20/h1-13H,14-15H2,(H,25,29)
InChIKeyBLNWPGLIKKHZCY-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide (CID 20932384) is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide is O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is BLNWPGLIKKHZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-18-10-8-17(9-11-18)21-12-13-22(28)27(26-21)15-14-25-23(29)20-7-3-5-16-4-1-2-6-19(16)20/h1-13H,14-15H2,(H,25,29).
What are the key properties of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide?
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 20932384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).