N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide

C23H21N3O2 — CID 10384590

IUPACN-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide
SMILESCC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-15(2)26-21-6-4-3-5-18(21)20-14-17(7-8-19(20)23(26)28)25-22(27)13-16-9-11-24-12-10-16/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyGQYYAONVTHHUJP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.31
Rot. Bonds4

About N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide

N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide (PubChem CID 10384590) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide
PubChem CID10384590
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide
SMILESCC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-15(2)26-21-6-4-3-5-18(21)20-14-17(7-8-19(20)23(26)28)25-22(27)13-16-9-11-24-12-10-16/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyGQYYAONVTHHUJP-UHFFFAOYSA-N
XLogP4.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide (CID 10384590) is N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide is CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21.
What is the InChIKey of N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide?
The InChIKey is GQYYAONVTHHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15(2)26-21-6-4-3-5-18(21)20-14-17(7-8-19(20)23(26)28)25-22(27)13-16-9-11-24-12-10-16/h3-12,14-15H,13H2,1-2H3,(H,25,27).
What are the key properties of N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide?
N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide has a molecular weight of 371.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 10384590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).