N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide

C22H20N4O2 — CID 91954843

IUPACN-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C22H20N4O2/c27-21-12-11-18(16-25(21)19-8-2-1-3-9-19)22(28)23-13-6-14-26-20-10-5-4-7-17(20)15-24-26/h1-5,7-12,15-16H,6,13-14H2,(H,23,28)
InChIKeyNPAIPNAFOXIYRR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.01
Rot. Bonds6

About N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide

N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 91954843) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID91954843
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C22H20N4O2/c27-21-12-11-18(16-25(21)19-8-2-1-3-9-19)22(28)23-13-6-14-26-20-10-5-4-7-17(20)15-24-26/h1-5,7-12,15-16H,6,13-14H2,(H,23,28)
InChIKeyNPAIPNAFOXIYRR-UHFFFAOYSA-N
XLogP3.01
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91955165
N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954850
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954804
N-(3-indazol-1-ylpropyl)-4-phenyl-1,4-diazepane-1-carboxamide
CID 121496739
(1S,6R)-6-(3-indazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 95738885
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
4-indazol-1-ylbutan-1-ol
CID 62142094
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278
ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide (CID 91954843) is N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide is O=C(NCCCn1ncc2ccccc21)c1ccc(=O)n(-c2ccccc2)c1.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is NPAIPNAFOXIYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-12-11-18(16-25(21)19-8-2-1-3-9-19)22(28)23-13-6-14-26-20-10-5-4-7-17(20)15-24-26/h1-5,7-12,15-16H,6,13-14H2,(H,23,28).
What are the key properties of N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide?
N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 91954843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).