3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid

C15H21N3O3 — CID 104743378

IUPAC3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)Nc2cccnc2C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-6-11(9-10)18(2)15(21)17-12-7-4-8-16-13(12)14(19)20/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyJBYAPLBWOQZEMU-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.82
Rot. Bonds3

About 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743378) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743378
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)Nc2cccnc2C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-6-11(9-10)18(2)15(21)17-12-7-4-8-16-13(12)14(19)20/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyJBYAPLBWOQZEMU-UHFFFAOYSA-N
XLogP2.82
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114134
3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 107414579
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea
CID 95784277

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 104743378) is 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid is CC1CCCC(N(C)C(=O)Nc2cccnc2C(=O)O)C1.
What is the InChIKey of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is JBYAPLBWOQZEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-5-3-6-11(9-10)18(2)15(21)17-12-7-4-8-16-13(12)14(19)20/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).