4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid

C15H20N4O2 — CID 115991759

IUPAC4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1CNc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C15H20N4O2/c1-5-12-11(8-19(4)18-12)7-16-13-6-9(2)17-10(3)14(13)15(20)21/h6,8H,5,7H2,1-4H3,(H,16,17)(H,20,21)
InChIKeyMXUVATYRPORQOL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds5

About 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 115991759) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID115991759
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1CNc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C15H20N4O2/c1-5-12-11(8-19(4)18-12)7-16-13-6-9(2)17-10(3)14(13)15(20)21/h6,8H,5,7H2,1-4H3,(H,16,17)(H,20,21)
InChIKeyMXUVATYRPORQOL-UHFFFAOYSA-N
XLogP2.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
3-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 115991762
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzoic acid
CID 115991752
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 112670129
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
3-bromo-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 102823300
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
CID 112668268
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 115991759) is 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid is CCc1nn(C)cc1CNc1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is MXUVATYRPORQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-12-11(8-19(4)18-12)7-16-13-6-9(2)17-10(3)14(13)15(20)21/h6,8H,5,7H2,1-4H3,(H,16,17)(H,20,21).
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 115991759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).