N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide

C22H19N3O2 — CID 10247746

IUPACN-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide
SMILESCCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21
InChIInChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-17(20)19-14-16(7-8-18(19)22(25)27)24-21(26)13-15-9-11-23-12-10-15/h3-12,14H,2,13H2,1H3,(H,24,26)
InChIKeyAVGCFTCKHIHCOQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds4

About N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide

N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide (PubChem CID 10247746) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide
PubChem CID10247746
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide
SMILESCCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21
InChIInChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-17(20)19-14-16(7-8-18(19)22(25)27)24-21(26)13-15-9-11-23-12-10-15/h3-12,14H,2,13H2,1H3,(H,24,26)
InChIKeyAVGCFTCKHIHCOQ-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
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-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide (CID 10247746) is N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide is CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21.
What is the InChIKey of N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide?
The InChIKey is AVGCFTCKHIHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-17(20)19-14-16(7-8-18(19)22(25)27)24-21(26)13-15-9-11-23-12-10-15/h3-12,14H,2,13H2,1H3,(H,24,26).
What are the key properties of N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide?
N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 10247746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).