ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide

C32H38N4O3S — CID 145222332

IUPACethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESC/C=C(/CC)c1ccc(CNC(=O)c2ccnc(Cc3cc(S(N)(=O)=O)c4ncc(C)cc4c3)c2)cc1C.CC
InChIInChI=1S/C30H32N4O3S.C2H6/c1-5-23(6-2)27-8-7-21(12-20(27)4)18-34-30(35)24-9-10-32-26(16-24)14-22-13-25-11-19(3)17-33-29(25)28(15-22)38(31,36)37;1-2/h5,7-13,15-17H,6,14,18H2,1-4H3,(H,34,35)(H2,31,36,37);1-2H3/b23-5-;
InChIKeyZYHFAAOMIMEXNA-CNIOPYJXSA-N
MW558.75 g/mol
LogP6.25
Rot. Bonds8

About ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide

ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 145222332) has the molecular formula C32H38N4O3S and a molecular weight of 558.75 g/mol. Its IUPAC name is ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID145222332
Molecular FormulaC32H38N4O3S
Molecular Weight558.75 g/mol
Exact Mass558.27
IUPAC Nameethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESC/C=C(/CC)c1ccc(CNC(=O)c2ccnc(Cc3cc(S(N)(=O)=O)c4ncc(C)cc4c3)c2)cc1C.CC
InChIInChI=1S/C30H32N4O3S.C2H6/c1-5-23(6-2)27-8-7-21(12-20(27)4)18-34-30(35)24-9-10-32-26(16-24)14-22-13-25-11-19(3)17-33-29(25)28(15-22)38(31,36)37;1-2/h5,7-13,15-17H,6,14,18H2,1-4H3,(H,34,35)(H2,31,36,37);1-2H3/b23-5-;
InChIKeyZYHFAAOMIMEXNA-CNIOPYJXSA-N
XLogP6.25
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.75
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;methyl 6-[(4-methoxycarbonyl-2-pyridinyl)methyl]-3-methylquinoline-8-carboxylate
CID 160671400
6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
CID 118665428
N-[(2-amino-3-azatricyclo[5.4.0.01,6]undeca-2,4,8,10-tetraen-9-yl)methyl]-2-[(3-fluoro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 137386073
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 118665190
2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide
CID 145222381
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
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3-methylisoquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213018
N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665420
lithium;alumane;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;hydride;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate
CID 159033488
3-chloro-6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide;ethane
CID 145002044
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(6-methylsulfonylquinolin-3-yl)methyl]pyridine-4-carboxamide
CID 118665105
6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide
CID 146326177

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 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) is ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide is C/C=C(/CC)c1ccc(CNC(=O)c2ccnc(Cc3cc(S(N)(=O)=O)c4ncc(C)cc4c3)c2)cc1C.CC.
What is the InChIKey of ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is ZYHFAAOMIMEXNA-CNIOPYJXSA-N. The full InChI is InChI=1S/C30H32N4O3S.C2H6/c1-5-23(6-2)27-8-7-21(12-20(27)4)18-34-30(35)24-9-10-32-26(16-24)14-22-13-25-11-19(3)17-33-29(25)28(15-22)38(31,36)37;1-2/h5,7-13,15-17H,6,14,18H2,1-4H3,(H,34,35)(H2,31,36,37);1-2H3/b23-5-;.
What are the key properties of ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 558.75 g/mol, XLogP of 6.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 145222332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).