N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide

C27H18N6O — CID 56566302

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C27H18N6O/c34-27(21-14-24(18-6-5-13-28-15-18)32-22-8-2-1-7-20(21)22)31-19-11-12-26(29-16-19)33-17-30-23-9-3-4-10-25(23)33/h1-17H,(H,31,34)
InChIKeyIMRCOJKSJYNVGC-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.28
Rot. Bonds4

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 56566302) has the molecular formula C27H18N6O and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID56566302
Molecular FormulaC27H18N6O
Molecular Weight442.48 g/mol
Exact Mass442.15
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C27H18N6O/c34-27(21-14-24(18-6-5-13-28-15-18)32-22-8-2-1-7-20(21)22)31-19-11-12-26(29-16-19)33-17-30-23-9-3-4-10-25(23)33/h1-17H,(H,31,34)
InChIKeyIMRCOJKSJYNVGC-UHFFFAOYSA-N
XLogP5.28
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
CID 55560796
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55958082
2-(4-bromophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]quinoline-4-carboxamide
CID 25332835
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide
CID 46668985

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 56566302) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is IMRCOJKSJYNVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6O/c34-27(21-14-24(18-6-5-13-28-15-18)32-22-8-2-1-7-20(21)22)31-19-11-12-26(29-16-19)33-17-30-23-9-3-4-10-25(23)33/h1-17H,(H,31,34).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 56566302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).