4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid

C16H17ClN2O2 — CID 81036947

IUPAC4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2cccc(Cl)c2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H17ClN2O2/c1-10-7-14(15(16(20)21)11(2)18-10)19(3)9-12-5-4-6-13(17)8-12/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyNUTJOHGXVDCHGJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.69
Rot. Bonds4

About 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid

4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81036947) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81036947
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2cccc(Cl)c2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H17ClN2O2/c1-10-7-14(15(16(20)21)11(2)18-10)19(3)9-12-5-4-6-13(17)8-12/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyNUTJOHGXVDCHGJ-UHFFFAOYSA-N
XLogP3.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
4-[(4-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060299
3-bromo-4-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 82800905
2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid
CID 81053454
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81075122
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
CID 81131729
2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053146

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81036947) is 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(N(C)Cc2cccc(Cl)c2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is NUTJOHGXVDCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-7-14(15(16(20)21)11(2)18-10)19(3)9-12-5-4-6-13(17)8-12/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81036947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).