4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C15H20ClN3O3 — CID 122060149

IUPAC4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)c1cnc(NC2CCC(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O3/c1-19(2)14(20)10-7-12(16)13(17-8-10)18-11-5-3-9(4-6-11)15(21)22/h7-9,11H,3-6H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyMJMMEPONPXEKNL-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.49
Rot. Bonds4

About 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122060149) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122060149
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)c1cnc(NC2CCC(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O3/c1-19(2)14(20)10-7-12(16)13(17-8-10)18-11-5-3-9(4-6-11)15(21)22/h7-9,11H,3-6H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyMJMMEPONPXEKNL-UHFFFAOYSA-N
XLogP2.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527554
3-[[5-Chloro-6-(2-hydroxyethylamino)pyridine-3-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 92044322
3-(2-Chlorophenyl)-3-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]propanoic acid
CID 92044334
(3S)-3-[[5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 92044336
5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 84584346
N-[4-(hydroxymethyl)cyclohexyl]-6-(methylamino)pyridine-3-carboxamide
CID 136581383
Methyl 4-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 20872640
4-[(2-Chloro-5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21877239
4-[(1S)-1-[[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 57572279
4-[(1S)-1-[[5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 57572289
4-[(1S)-1-[[5-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 57572346
4-[[5-Fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 68807621

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 122060149) is 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is CN(C)C(=O)c1cnc(NC2CCC(C(=O)O)CC2)c(Cl)c1.
What is the InChIKey of 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MJMMEPONPXEKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-19(2)14(20)10-7-12(16)13(17-8-10)18-11-5-3-9(4-6-11)15(21)22/h7-9,11H,3-6H2,1-2H3,(H,17,18)(H,21,22).
What are the key properties of 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 325.80 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).