6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid

C16H18N2O2 — CID 81244858

IUPAC6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NC(C)Cc2ccccc2)c(C(=O)O)cn1
InChIInChI=1S/C16H18N2O2/c1-11-9-15(14(10-17-11)16(19)20)18-12(2)8-13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIWJLLKOLYAXFTB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.13
Rot. Bonds5

About 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid

6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 81244858) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID81244858
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NC(C)Cc2ccccc2)c(C(=O)O)cn1
InChIInChI=1S/C16H18N2O2/c1-11-9-15(14(10-17-11)16(19)20)18-12(2)8-13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIWJLLKOLYAXFTB-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181314
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
CID 106760088
6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553898
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-(benzylamino)-6-methylpyridine-3-carboxylic acid;methyl 4-amino-6-methylpyridine-3-carboxylate
CID 159705199
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81233505
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid (CID 81244858) is 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid is Cc1cc(NC(C)Cc2ccccc2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is IWJLLKOLYAXFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-15(14(10-17-11)16(19)20)18-12(2)8-13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81244858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).