2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide

C21H26ClN3O — CID 143937089

IUPAC2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide
SMILESCc1cncc(NCC2CCC(NC(=O)c3cc(C)ccc3Cl)CC2)c1
InChIInChI=1S/C21H26ClN3O/c1-14-3-8-20(22)19(10-14)21(26)25-17-6-4-16(5-7-17)12-24-18-9-15(2)11-23-13-18/h3,8-11,13,16-17,24H,4-7,12H2,1-2H3,(H,25,26)
InChIKeyPYUOMPUZARJLIK-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.75
Rot. Bonds5

About 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide

2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide (PubChem CID 143937089) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide
PubChem CID143937089
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide
SMILESCc1cncc(NCC2CCC(NC(=O)c3cc(C)ccc3Cl)CC2)c1
InChIInChI=1S/C21H26ClN3O/c1-14-3-8-20(22)19(10-14)21(26)25-17-6-4-16(5-7-17)12-24-18-9-15(2)11-23-13-18/h3,8-11,13,16-17,24H,4-7,12H2,1-2H3,(H,25,26)
InChIKeyPYUOMPUZARJLIK-UHFFFAOYSA-N
XLogP4.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
2-chloro-N-[4-[[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]methyl]cyclohexyl]-5-methylbenzamide
CID 58317388
2-chloro-N-[4-[[[5-chloro-6-(trideuteriomethyl)-3-pyridinyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317272
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-chloro-N-[4-[(4-ethoxyanilino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815772
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 107584900
2,5-dichloro-N-[4-[[(6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]benzamide
CID 68544319
2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44814945
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-2-methyl-N-[4-[(pyrimidin-2-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide
CID 44814574
methyl 4-[(2-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103581955
N-(4-ethylcyclohexyl)-2-hydrazinyl-5-methylbenzamide
CID 62511302

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide?
The IUPAC name of 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide (CID 143937089) is 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide is Cc1cncc(NCC2CCC(NC(=O)c3cc(C)ccc3Cl)CC2)c1.
What is the InChIKey of 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide?
The InChIKey is PYUOMPUZARJLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-14-3-8-20(22)19(10-14)21(26)25-17-6-4-16(5-7-17)12-24-18-9-15(2)11-23-13-18/h3,8-11,13,16-17,24H,4-7,12H2,1-2H3,(H,25,26).
What are the key properties of 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide?
2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide has a molecular weight of 371.91 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 143937089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).