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

C15H21N3O3 — CID 63157586

IUPAC5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-4-6-13(10)18(2)15(21)17-12-7-11(14(19)20)8-16-9-12/h7-10,13H,3-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyTVTDEFAMSRHXCW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.82
Rot. Bonds3

About 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63157586) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63157586
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-4-6-13(10)18(2)15(21)17-12-7-11(14(19)20)8-16-9-12/h7-10,13H,3-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyTVTDEFAMSRHXCW-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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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 63157586) is 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid is CC1CCCCC1N(C)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is TVTDEFAMSRHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-5-3-4-6-13(10)18(2)15(21)17-12-7-11(14(19)20)8-16-9-12/h7-10,13H,3-6H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-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 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).