1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide

C22H26ClN3O2 — CID 56523181

IUPAC1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)C2(c3cccc(Cl)c3)CCCCC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-9-12-24-19(13-16)25-20(27)15-26(2)21(28)22(10-4-3-5-11-22)17-7-6-8-18(23)14-17/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,24,25,27)
InChIKeyQFUDQBNJGBJIHR-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.34
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 56523181) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID56523181
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)C2(c3cccc(Cl)c3)CCCCC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-9-12-24-19(13-16)25-20(27)15-26(2)21(28)22(10-4-3-5-11-22)17-7-6-8-18(23)14-17/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,24,25,27)
InChIKeyQFUDQBNJGBJIHR-UHFFFAOYSA-N
XLogP4.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 56523257
1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 56523205
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
N-[2-(2-bromoanilino)-2-oxoethyl]-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide
CID 55997964
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 55642429
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 55997836
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 110439479
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
1-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylcyclobutane-1-carboxamide
CID 55539017
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide (CID 56523181) is 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide is Cc1ccnc(NC(=O)CN(C)C(=O)C2(c3cccc(Cl)c3)CCCCC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is QFUDQBNJGBJIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-9-12-24-19(13-16)25-20(27)15-26(2)21(28)22(10-4-3-5-11-22)17-7-6-8-18(23)14-17/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,24,25,27).
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 56523181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).