N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide

C30H34N4O3 — CID 118465336

IUPACN-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide
SMILESCc1ccc(-c2ccc(Oc3cc(C(=O)NC4CCCCC4)ccc3CN3C[C@@H](C)CC3=O)cc2)nn1
InChIInChI=1S/C30H34N4O3/c1-20-16-29(35)34(18-20)19-24-10-9-23(30(36)31-25-6-4-3-5-7-25)17-28(24)37-26-13-11-22(12-14-26)27-15-8-21(2)32-33-27/h8-15,17,20,25H,3-7,16,18-19H2,1-2H3,(H,31,36)/t20-/m0/s1
InChIKeyNIUMSYSCRZUDPK-FQEVSTJZSA-N
MW498.63 g/mol
LogP5.68
Rot. Bonds7

About N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide

N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide (PubChem CID 118465336) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide
PubChem CID118465336
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide
SMILESCc1ccc(-c2ccc(Oc3cc(C(=O)NC4CCCCC4)ccc3CN3C[C@@H](C)CC3=O)cc2)nn1
InChIInChI=1S/C30H34N4O3/c1-20-16-29(35)34(18-20)19-24-10-9-23(30(36)31-25-6-4-3-5-7-25)17-28(24)37-26-13-11-22(12-14-26)27-15-8-21(2)32-33-27/h8-15,17,20,25H,3-7,16,18-19H2,1-2H3,(H,31,36)/t20-/m0/s1
InChIKeyNIUMSYSCRZUDPK-FQEVSTJZSA-N
XLogP5.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(6-methylpyridazin-3-yl)phenoxy]-4-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]benzoic acid
CID 118454450
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[4-(6-methoxypyridazin-3-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 118465430
2-fluoro-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-5-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 123449946
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide
CID 123683263
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]-4-[[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]methyl]benzamide
CID 118465275
2-fluoro-N-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-5-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 123304839
N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
CID 118465433
N-(2-azaspiro[3.3]heptan-6-yl)-2-fluoro-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-5-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 118454747
N-(1-cyclopentylpiperidin-4-yl)-4-[(4-methyl-2-oxoimidazolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide
CID 118454709
3-[4-(oxan-4-ylcarbamoyl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
CID 144948142
4-[[3-hydroxy-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]piperidine-1-carboxylic acid
CID 118454610
N-[(4R)-3,3-difluoropiperidin-4-yl]-2-fluoro-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-5-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 118454726

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide?
The IUPAC name of N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide (CID 118465336) is N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide is Cc1ccc(-c2ccc(Oc3cc(C(=O)NC4CCCCC4)ccc3CN3C[C@@H](C)CC3=O)cc2)nn1.
What is the InChIKey of N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide?
The InChIKey is NIUMSYSCRZUDPK-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-20-16-29(35)34(18-20)19-24-10-9-23(30(36)31-25-6-4-3-5-7-25)17-28(24)37-26-13-11-22(12-14-26)27-15-8-21(2)32-33-27/h8-15,17,20,25H,3-7,16,18-19H2,1-2H3,(H,31,36)/t20-/m0/s1.
What are the key properties of N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide?
N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide has a molecular weight of 498.63 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide is sourced from PubChem (CID 118465336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).