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

C15H21N3O3 — CID 107586079

IUPAC3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cncc(NC(=O)NC2(C(=O)O)CCCC(C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-15(7-10,13(19)20)18-14(21)17-12-6-11(2)8-16-9-12/h6,8-10H,3-5,7H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyJQIUTJMZPBRTFZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.55
Rot. Bonds3

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

3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 107586079) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID107586079
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cncc(NC(=O)NC2(C(=O)O)CCCC(C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-15(7-10,13(19)20)18-14(21)17-12-6-11(2)8-16-9-12/h6,8-10H,3-5,7H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyJQIUTJMZPBRTFZ-UHFFFAOYSA-N
XLogP2.55
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 107586079) is 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1cncc(NC(=O)NC2(C(=O)O)CCCC(C)C2)c1.
What is the InChIKey of 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JQIUTJMZPBRTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-3-5-15(7-10,13(19)20)18-14(21)17-12-6-11(2)8-16-9-12/h6,8-10H,3-5,7H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107586079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).