6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide

C27H26F2N4O — CID 142333897

IUPAC6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)C1=CCNc2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc21
InChIInChI=1S/C27H26F2N4O/c28-27(29)9-12-33(13-10-27)18-19-14-21(17-30-16-19)20-6-7-25-24(15-20)23(8-11-31-25)26(34)32-22-4-2-1-3-5-22/h1-8,14-17,31H,9-13,18H2,(H,32,34)
InChIKeyVROUESRMUHQMFS-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.43
Rot. Bonds5

About 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide

6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide (PubChem CID 142333897) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide
PubChem CID142333897
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)C1=CCNc2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc21
InChIInChI=1S/C27H26F2N4O/c28-27(29)9-12-33(13-10-27)18-19-14-21(17-30-16-19)20-6-7-25-24(15-20)23(8-11-31-25)26(34)32-22-4-2-1-3-5-22/h1-8,14-17,31H,9-13,18H2,(H,32,34)
InChIKeyVROUESRMUHQMFS-UHFFFAOYSA-N
XLogP5.43
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide with MolForge

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Related Compounds

6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-methyl-N-(6-phenyl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 142333845
(2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide
CID 142333341
N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide
CID 166774274
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451248
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450914
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 159812676
N-(6-benzyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451047
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide
CID 89459121
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450932
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128
6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 142333773
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide
CID 118382272

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide (CID 142333897) is 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide is O=C(Nc1ccccc1)C1=CCNc2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc21.
What is the InChIKey of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is VROUESRMUHQMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c28-27(29)9-12-33(13-10-27)18-19-14-21(17-30-16-19)20-6-7-25-24(15-20)23(8-11-31-25)26(34)32-22-4-2-1-3-5-22/h1-8,14-17,31H,9-13,18H2,(H,32,34).
What are the key properties of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide?
6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 142333897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).