9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide

C19H13N3O2 — CID 75511238

IUPAC9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C19H13N3O2/c23-18-14-5-1-2-6-16(14)22-17-8-7-12(10-15(17)18)19(24)21-13-4-3-9-20-11-13/h1-11H,(H,21,24)(H,22,23)
InChIKeyNEWMLQDBLYUHGZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.33
Rot. Bonds2

About 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide

9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide (PubChem CID 75511238) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
PubChem CID75511238
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C19H13N3O2/c23-18-14-5-1-2-6-16(14)22-17-8-7-12(10-15(17)18)19(24)21-13-4-3-9-20-11-13/h1-11H,(H,21,24)(H,22,23)
InChIKeyNEWMLQDBLYUHGZ-UHFFFAOYSA-N
XLogP3.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
(8E)-8-(methylhydrazinylidene)-N-pyridin-3-yl-5,6,7,9-tetrahydrocarbazole-3-carboxamide
CID 135465352
(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide
CID 135873830
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144
1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
CID 145363454
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide?
The IUPAC name of 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide (CID 75511238) is 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide.
What is the SMILES notation for 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide?
The canonical SMILES for 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide is O=C(Nc1cccnc1)c1ccc2[nH]c3ccccc3c(=O)c2c1.
What is the InChIKey of 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide?
The InChIKey is NEWMLQDBLYUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18-14-5-1-2-6-16(14)22-17-8-7-12(10-15(17)18)19(24)21-13-4-3-9-20-11-13/h1-11H,(H,21,24)(H,22,23).
What are the key properties of 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide?
9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide is sourced from PubChem (CID 75511238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).