4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H18ClN3O3 — CID 122094449

IUPAC4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(Cl)cncc1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18ClN3O3/c1-8-11(15)6-16-7-12(8)18-14(21)17-10-4-2-9(3-5-10)13(19)20/h6-7,9-10H,2-5H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQOLDBOAUSMNJKE-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.81
Rot. Bonds3

About 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122094449) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122094449
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(Cl)cncc1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18ClN3O3/c1-8-11(15)6-16-7-12(8)18-14(21)17-10-4-2-9(3-5-10)13(19)20/h6-7,9-10H,2-5H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQOLDBOAUSMNJKE-UHFFFAOYSA-N
XLogP2.81
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091843
4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088906
4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075076
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
4-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092526
4-[[2-chloro-5-(propanoylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076486
4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122080014
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122094449) is 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1c(Cl)cncc1NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QOLDBOAUSMNJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-8-11(15)6-16-7-12(8)18-14(21)17-10-4-2-9(3-5-10)13(19)20/h6-7,9-10H,2-5H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122094449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).