2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid

C15H20N2O3 — CID 65243108

IUPAC2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)c1ccncc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O3/c1-17(14(20)12-5-9-16-10-6-12)15(11-13(18)19)7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyMNNYTAWRPPTPNN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds4

About 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 65243108) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID65243108
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)c1ccncc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O3/c1-17(14(20)12-5-9-16-10-6-12)15(11-13(18)19)7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyMNNYTAWRPPTPNN-UHFFFAOYSA-N
XLogP2.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid (CID 65243108) is 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid is CN(C(=O)c1ccncc1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is MNNYTAWRPPTPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(14(20)12-5-9-16-10-6-12)15(11-13(18)19)7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).