1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide

C23H20F2N4O — CID 53002667

IUPAC1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2c1
InChIInChI=1S/C23H20F2N4O/c1-14-2-5-21-18(10-14)22(16(12-26)13-27-21)29-8-6-15(7-9-29)23(30)28-17-3-4-19(24)20(25)11-17/h2-5,10-11,13,15H,6-9H2,1H3,(H,28,30)
InChIKeyCNEBMYDYYMRHPH-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.55
Rot. Bonds3

About 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide

1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide (PubChem CID 53002667) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
PubChem CID53002667
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2c1
InChIInChI=1S/C23H20F2N4O/c1-14-2-5-21-18(10-14)22(16(12-26)13-27-21)29-8-6-15(7-9-29)23(30)28-17-3-4-19(24)20(25)11-17/h2-5,10-11,13,15H,6-9H2,1H3,(H,28,30)
InChIKeyCNEBMYDYYMRHPH-UHFFFAOYSA-N
XLogP4.55
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 53002568
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 53002561
6-methyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002630
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
CID 53002454
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
1-(3-cyano-6-methylquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064366
1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide (CID 53002667) is 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide is Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2c1.
What is the InChIKey of 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The InChIKey is CNEBMYDYYMRHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-14-2-5-21-18(10-14)22(16(12-26)13-27-21)29-8-6-15(7-9-29)23(30)28-17-3-4-19(24)20(25)11-17/h2-5,10-11,13,15H,6-9H2,1H3,(H,28,30).
What are the key properties of 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53002667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).