5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide

C22H28ClN3O2 — CID 70913078

IUPAC5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2ccc[nH]c2=O)c1C)C1CCCCC1
InChIInChI=1S/C22H28ClN3O2/c1-3-26(18-9-5-4-6-10-18)20-13-17(23)12-19(15(20)2)22(28)25-14-16-8-7-11-24-21(16)27/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWNVQSXAUIUABOQ-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.43
Rot. Bonds6

About 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide

5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide (PubChem CID 70913078) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide
PubChem CID70913078
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2ccc[nH]c2=O)c1C)C1CCCCC1
InChIInChI=1S/C22H28ClN3O2/c1-3-26(18-9-5-4-6-10-18)20-13-17(23)12-19(15(20)2)22(28)25-14-16-8-7-11-24-21(16)27/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWNVQSXAUIUABOQ-UHFFFAOYSA-N
XLogP4.43
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552
5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
CID 86275883
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(4-phenyl-1H-imidazol-5-yl)methyl]benzamide
CID 86288461
tert-butyl-[4-[5-chloro-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]carbamic acid
CID 90150990
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(6-methoxy-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90252874
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide
CID 137382035
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methylimidazol-4-yl)methyl]benzamide
CID 86288041
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(2-methyl-3-morpholin-4-yl-5-oxo-1H-pyrazol-4-yl)methyl]benzamide
CID 90469065
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90252807
5-chloro-N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-[ethyl-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]amino]-2-methylbenzamide
CID 90469329
5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide
CID 90252929

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide (CID 70913078) is 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide is CCN(c1cc(Cl)cc(C(=O)NCc2ccc[nH]c2=O)c1C)C1CCCCC1.
What is the InChIKey of 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide?
The InChIKey is WNVQSXAUIUABOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-3-26(18-9-5-4-6-10-18)20-13-17(23)12-19(15(20)2)22(28)25-14-16-8-7-11-24-21(16)27/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide?
5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide has a molecular weight of 401.94 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 70913078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).