N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide

C22H19ClN4O2 — CID 91954850

IUPACN-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccc(Cl)cc21)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C22H19ClN4O2/c23-18-9-7-16-14-25-27(20(16)13-18)12-4-11-24-22(29)17-8-10-21(28)26(15-17)19-5-2-1-3-6-19/h1-3,5-10,13-15H,4,11-12H2,(H,24,29)
InChIKeyYRFDSGXQPLYUMO-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.66
Rot. Bonds6

About N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide

N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 91954850) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID91954850
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccc(Cl)cc21)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C22H19ClN4O2/c23-18-9-7-16-14-25-27(20(16)13-18)12-4-11-24-22(29)17-8-10-21(28)26(15-17)19-5-2-1-3-6-19/h1-3,5-10,13-15H,4,11-12H2,(H,24,29)
InChIKeyYRFDSGXQPLYUMO-UHFFFAOYSA-N
XLogP3.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.66
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-phenylpyridine-3-carboxamide
CID 91954843
N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91955165
N-[3-(dimethylamino)-3-oxopropyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954804
N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide
CID 91956336
2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide
CID 71688492
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628
1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
CID 53012821
N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 56731656
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-methoxypyridine-3-carboxamide
CID 71208877

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide (CID 91954850) is N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide is O=C(NCCCn1ncc2ccc(Cl)cc21)c1ccc(=O)n(-c2ccccc2)c1.
What is the InChIKey of N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is YRFDSGXQPLYUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-18-9-7-16-14-25-27(20(16)13-18)12-4-11-24-22(29)17-8-10-21(28)26(15-17)19-5-2-1-3-6-19/h1-3,5-10,13-15H,4,11-12H2,(H,24,29).
What are the key properties of N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide?
N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 91954850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).