2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid

C17H26N2O2 — CID 63539189

IUPAC2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCC(Nc1nc(C)cc(C)c1C(=O)O)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-4-14(13-8-6-5-7-9-13)19-16-15(17(20)21)11(2)10-12(3)18-16/h10,13-14H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCCNQWCLVVUPSCU-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.17
Rot. Bonds5

About 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid

2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 63539189) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID63539189
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCC(Nc1nc(C)cc(C)c1C(=O)O)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-4-14(13-8-6-5-7-9-13)19-16-15(17(20)21)11(2)10-12(3)18-16/h10,13-14H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCCNQWCLVVUPSCU-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 63539189) is 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid is CCC(Nc1nc(C)cc(C)c1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is CCNQWCLVVUPSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-14(13-8-6-5-7-9-13)19-16-15(17(20)21)11(2)10-12(3)18-16/h10,13-14H,4-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 63539189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).