2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide

C24H21FN4O — CID 145222381

IUPAC2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide
SMILESC=C/C(F)=C(\C)CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(C)cc3c2)c1
InChIInChI=1S/C24H21FN4O/c1-4-22(25)16(3)14-29-24(30)18-5-6-27-21(11-18)10-17-8-19-7-15(2)13-28-23(19)20(9-17)12-26/h4-9,11,13H,1,10,14H2,2-3H3,(H,29,30)/b22-16-
InChIKeyNCGSYDOCTZXWRV-JWGURIENSA-N
MW400.46 g/mol
LogP4.56
Rot. Bonds6

About 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide

2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide (PubChem CID 145222381) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide
PubChem CID145222381
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide
SMILESC=C/C(F)=C(\C)CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(C)cc3c2)c1
InChIInChI=1S/C24H21FN4O/c1-4-22(25)16(3)14-29-24(30)18-5-6-27-21(11-18)10-17-8-19-7-15(2)13-28-23(19)20(9-17)12-26/h4-9,11,13H,1,10,14H2,2-3H3,(H,29,30)/b22-16-
InChIKeyNCGSYDOCTZXWRV-JWGURIENSA-N
XLogP4.56
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-3-methylquinoline-8-carbonitrile;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-methylpyridine-4-carboxylate
CID 159399810
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 159457287
(2Z)-3-fluoro-N,2-dimethylpenta-2,4-dien-1-amine;6-[(4-formyl-2-pyridinyl)methyl]-3-methylquinoline-8-carboxamide
CID 145002121
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
CID 160902487
methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 3-chloro-6-[(4-methoxycarbonyl-2-pyridinyl)methyl]quinoline-8-carboxylate
CID 159488290
N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665420
6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
CID 118665171
6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide
CID 146326177
2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane
CID 159097267
6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
CID 118665428
ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 145222332
N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118212194

Frequently Asked Questions

What is the IUPAC name of 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide (CID 145222381) is 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide is C=C/C(F)=C(\C)CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(C)cc3c2)c1.
What is the InChIKey of 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide?
The InChIKey is NCGSYDOCTZXWRV-JWGURIENSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-4-22(25)16(3)14-29-24(30)18-5-6-27-21(11-18)10-17-8-19-7-15(2)13-28-23(19)20(9-17)12-26/h4-9,11,13H,1,10,14H2,2-3H3,(H,29,30)/b22-16-.
What are the key properties of 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide?
2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide is sourced from PubChem (CID 145222381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).