2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid

C14H20N2O3 — CID 115273457

IUPAC2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(C(=O)CCC(C)(C)C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)7-5-12(17)16(4)11-9-10(13(18)19)6-8-15-11/h6,8-9H,5,7H2,1-4H3,(H,18,19)
InChIKeyAICBHUMQCRXYRB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.57
Rot. Bonds4

About 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid

2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 115273457) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID115273457
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(C(=O)CCC(C)(C)C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)7-5-12(17)16(4)11-9-10(13(18)19)6-8-15-11/h6,8-9H,5,7H2,1-4H3,(H,18,19)
InChIKeyAICBHUMQCRXYRB-UHFFFAOYSA-N
XLogP2.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid
CID 115273621
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
CID 102632507
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 55025543
2-(dimethylamino)-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115869951
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid (CID 115273457) is 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid is CN(C(=O)CCC(C)(C)C)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is AICBHUMQCRXYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)7-5-12(17)16(4)11-9-10(13(18)19)6-8-15-11/h6,8-9H,5,7H2,1-4H3,(H,18,19).
What are the key properties of 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid?
2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 115273457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).