N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide

C23H18N6O2 — CID 68648687

IUPACN-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C23H18N6O2/c30-20(14-29-13-3-11-25-29)27-16-8-6-15(7-9-16)26-19-10-12-24-22-21(19)17-4-1-2-5-18(17)23(31)28-22/h1-13H,14H2,(H,27,30)(H2,24,26,28,31)
InChIKeyMUFJMEJFJFLORV-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.66
Rot. Bonds5

About N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide

N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 68648687) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide
PubChem CID68648687
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C23H18N6O2/c30-20(14-29-13-3-11-25-29)27-16-8-6-15(7-9-16)26-19-10-12-24-22-21(19)17-4-1-2-5-18(17)23(31)28-22/h1-13H,14H2,(H,27,30)(H2,24,26,28,31)
InChIKeyMUFJMEJFJFLORV-UHFFFAOYSA-N
XLogP3.66
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide (CID 68648687) is N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1.
What is the InChIKey of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide?
The InChIKey is MUFJMEJFJFLORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-20(14-29-13-3-11-25-29)27-16-8-6-15(7-9-16)26-19-10-12-24-22-21(19)17-4-1-2-5-18(17)23(31)28-22/h1-13H,14H2,(H,27,30)(H2,24,26,28,31).
What are the key properties of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide?
N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 410.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 68648687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).