2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid

C12H16N2O2 — CID 62414994

IUPAC2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC2CCC2)n1
InChIInChI=1S/C12H16N2O2/c1-7-6-8(2)13-11(10(7)12(15)16)14-9-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXPAIRZVNCODQKS-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.36
Rot. Bonds3

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

2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 62414994) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID62414994
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC2CCC2)n1
InChIInChI=1S/C12H16N2O2/c1-7-6-8(2)13-11(10(7)12(15)16)14-9-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXPAIRZVNCODQKS-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 64741956
2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114093951
4,6-dimethyl-2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55027428
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61004045
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63539189
cis-(1R,3S)-3-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322257
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61004153
4,6-dimethyl-2-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 80585482
2-[(1,1-dioxothiolan-2-yl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 81040091
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide
CID 61232175
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 62414994) is 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC2CCC2)n1.
What is the InChIKey of 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XPAIRZVNCODQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-6-8(2)13-11(10(7)12(15)16)14-9-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 62414994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).