N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide

C24H16N4O — CID 90971441

IUPACN-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide
SMILESO=C(Nc1cc2cccnc2c2ncccc12)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H16N4O/c29-24(17-10-8-16(9-11-17)20-7-1-2-12-25-20)28-21-15-18-5-3-13-26-22(18)23-19(21)6-4-14-27-23/h1-15H,(H,28,29)
InChIKeyCQNOUWBZUIBTQD-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.10
Rot. Bonds3

About N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide

N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide (PubChem CID 90971441) has the molecular formula C24H16N4O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide
PubChem CID90971441
Molecular FormulaC24H16N4O
Molecular Weight376.42 g/mol
Exact Mass376.13
IUPAC NameN-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide
SMILESO=C(Nc1cc2cccnc2c2ncccc12)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H16N4O/c29-24(17-10-8-16(9-11-17)20-7-1-2-12-25-20)28-21-15-18-5-3-13-26-22(18)23-19(21)6-4-14-27-23/h1-15H,(H,28,29)
InChIKeyCQNOUWBZUIBTQD-UHFFFAOYSA-N
XLogP5.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.10
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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Related Compounds

Phen-DC 3
CID 44449504
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
SN 6999
CID 149449
Quinolinium dibromide
CID 162087
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925641

Frequently Asked Questions

What is the IUPAC name of N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide (CID 90971441) is N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide is O=C(Nc1cc2cccnc2c2ncccc12)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide?
The InChIKey is CQNOUWBZUIBTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O/c29-24(17-10-8-16(9-11-17)20-7-1-2-12-25-20)28-21-15-18-5-3-13-26-22(18)23-19(21)6-4-14-27-23/h1-15H,(H,28,29).
What are the key properties of N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide?
N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide has a molecular weight of 376.42 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,10-phenanthrolin-5-yl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 90971441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).