2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid

C17H20N2O2 — CID 62702835

IUPAC2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C17H20N2O2/c1-12(2)19(11-14-7-5-4-6-8-14)16-15(17(20)21)10-9-13(3)18-16/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyQAPRTWORUCFDRC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.50
Rot. Bonds5

About 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid

2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 62702835) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID62702835
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C17H20N2O2/c1-12(2)19(11-14-7-5-4-6-8-14)16-15(17(20)21)10-9-13(3)18-16/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyQAPRTWORUCFDRC-UHFFFAOYSA-N
XLogP3.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936
6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 62702882
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
2-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194876
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid
CID 43269746
2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 63535310
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 76916135
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid (CID 62702835) is 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is QAPRTWORUCFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)19(11-14-7-5-4-6-8-14)16-15(17(20)21)10-9-13(3)18-16/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid?
2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62702835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).