2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid

C13H20N2O3 — CID 102698553

IUPAC2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCOC(C)CNc1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-8(2)11-5-10(13(16)17)6-12(15-11)14-7-9(3)18-4/h5-6,8-9H,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyQUSVSAPKXKYDIS-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.35
Rot. Bonds6

About 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid

2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 102698553) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID102698553
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCOC(C)CNc1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-8(2)11-5-10(13(16)17)6-12(15-11)14-7-9(3)18-4/h5-6,8-9H,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyQUSVSAPKXKYDIS-UHFFFAOYSA-N
XLogP2.35
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380228
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
2-propan-2-yl-6-(2-prop-2-enylsulfanylethylamino)pyridine-4-carboxylic acid
CID 106429356
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
3,5-difluoro-4-(2-methoxypropylamino)benzoic acid
CID 102698532
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 102700593
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106034851
2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114700707
2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380308
2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113485557

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid (CID 102698553) is 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid is COC(C)CNc1cc(C(=O)O)cc(C(C)C)n1.
What is the InChIKey of 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is QUSVSAPKXKYDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)11-5-10(13(16)17)6-12(15-11)14-7-9(3)18-4/h5-6,8-9H,7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 102698553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).