N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

C25H20N6O — CID 166220183

IUPACN-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C25H20N6O/c1-17(24-16-31(30-29-24)19-7-3-2-4-8-19)27-25(32)21-15-23(18-11-13-26-14-12-18)28-22-10-6-5-9-20(21)22/h2-17H,1H3,(H,27,32)
InChIKeyBUTAXVOUOKDDJU-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.37
Rot. Bonds5

About N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 166220183) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID166220183
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC NameN-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C25H20N6O/c1-17(24-16-31(30-29-24)19-7-3-2-4-8-19)27-25(32)21-15-23(18-11-13-26-14-12-18)28-22-10-6-5-9-20(21)22/h2-17H,1H3,(H,27,32)
InChIKeyBUTAXVOUOKDDJU-UHFFFAOYSA-N
XLogP4.37
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
2-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)quinoline-4-carboxamide
CID 166205807
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 124861697
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 91639956
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 71917956
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 166220183) is N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is BUTAXVOUOKDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-17(24-16-31(30-29-24)19-7-3-2-4-8-19)27-25(32)21-15-23(18-11-13-26-14-12-18)28-22-10-6-5-9-20(21)22/h2-17H,1H3,(H,27,32).
What are the key properties of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 166220183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).