N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide

C24H20N6O2 — CID 55862999

IUPACN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H20N6O2/c31-23(26-12-6-14-30-24(32)29-13-4-3-10-22(29)28-30)19-15-21(17-7-5-11-25-16-17)27-20-9-2-1-8-18(19)20/h1-5,7-11,13,15-16H,6,12,14H2,(H,26,31)
InChIKeyBTBZSWLPFUEAER-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.93
Rot. Bonds6

About N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 55862999) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID55862999
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H20N6O2/c31-23(26-12-6-14-30-24(32)29-13-4-3-10-22(29)28-30)19-15-21(17-7-5-11-25-16-17)27-20-9-2-1-8-18(19)20/h1-5,7-11,13,15-16H,6,12,14H2,(H,26,31)
InChIKeyBTBZSWLPFUEAER-UHFFFAOYSA-N
XLogP2.93
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide
CID 51091181
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 17372668
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 55862999) is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCCCn1nc2ccccn2c1=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is BTBZSWLPFUEAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c31-23(26-12-6-14-30-24(32)29-13-4-3-10-22(29)28-30)19-15-21(17-7-5-11-25-16-17)27-20-9-2-1-8-18(19)20/h1-5,7-11,13,15-16H,6,12,14H2,(H,26,31).
What are the key properties of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55862999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).