N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane

C33H42N2O2 — CID 145396876

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane
SMILESC/C=C\c1c(C)cc(-c2ccc(CC)cc2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O.CC1CCCC1
InChIInChI=1S/C27H30N2O2.C6H12/c1-6-8-23-18(4)14-22(21-11-9-20(7-2)10-12-21)15-24(23)26(30)28-16-25-17(3)13-19(5)29-27(25)31;1-6-4-2-3-5-6/h6,8-15H,7,16H2,1-5H3,(H,28,30)(H,29,31);6H,2-5H2,1H3/b8-6-;
InChIKeyLXPZQYUAPIIPKI-PHZXCRFESA-N
MW498.71 g/mol
LogP7.69
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane (PubChem CID 145396876) has the molecular formula C33H42N2O2 and a molecular weight of 498.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane
PubChem CID145396876
Molecular FormulaC33H42N2O2
Molecular Weight498.71 g/mol
Exact Mass498.32
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane
SMILESC/C=C\c1c(C)cc(-c2ccc(CC)cc2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O.CC1CCCC1
InChIInChI=1S/C27H30N2O2.C6H12/c1-6-8-23-18(4)14-22(21-11-9-20(7-2)10-12-21)15-24(23)26(30)28-16-25-17(3)13-19(5)29-27(25)31;1-6-4-2-3-5-6/h6,8-15H,7,16H2,1-5H3,(H,28,30)(H,29,31);6H,2-5H2,1H3/b8-6-;
InChIKeyLXPZQYUAPIIPKI-PHZXCRFESA-N
XLogP7.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopentyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 166958022
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(4-ethylphenyl)-2-methylbenzamide
CID 70904687
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
CID 144740565
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
CID 70872858
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-2-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 135280392
3-[cyclohexyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872406
3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-formyl-2-methylphenyl)-2-methanimidoylbenzamide
CID 123882195
1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 75534517
3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 130460281
2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide
CID 123186330
5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123433935
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide
CID 135280556

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane (CID 145396876) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane is C/C=C\c1c(C)cc(-c2ccc(CC)cc2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O.CC1CCCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane?
The InChIKey is LXPZQYUAPIIPKI-PHZXCRFESA-N. The full InChI is InChI=1S/C27H30N2O2.C6H12/c1-6-8-23-18(4)14-22(21-11-9-20(7-2)10-12-21)15-24(23)26(30)28-16-25-17(3)13-19(5)29-27(25)31;1-6-4-2-3-5-6/h6,8-15H,7,16H2,1-5H3,(H,28,30)(H,29,31);6H,2-5H2,1H3/b8-6-;.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane has a molecular weight of 498.71 g/mol, XLogP of 7.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane is sourced from PubChem (CID 145396876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).