4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 63309326

IUPAC4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccnc1CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-10-3-2-8-16-13(10)9-17-15(21)18-12-6-4-11(5-7-12)14(19)20/h2-3,8,11-12H,4-7,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyOOOUJMMEXRMLGI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.83
Rot. Bonds4

About 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63309326) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63309326
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccnc1CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-10-3-2-8-16-13(10)9-17-15(21)18-12-6-4-11(5-7-12)14(19)20/h2-3,8,11-12H,4-7,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyOOOUJMMEXRMLGI-UHFFFAOYSA-N
XLogP1.83
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016458
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
1-[(3-methyl-2-pyridinyl)methyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea
CID 146140314
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016339
2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835828
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
4-[(4-bromo-2-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001618
2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 63309326) is 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is Cc1cccnc1CNC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OOOUJMMEXRMLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-3-2-8-16-13(10)9-17-15(21)18-12-6-4-11(5-7-12)14(19)20/h2-3,8,11-12H,4-7,9H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63309326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).