6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid

C14H19N3O4 — CID 115730289

IUPAC6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1cccc(C(=O)O)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19N3O4/c1-8(11(18)17-14(2,3)4)15-12(19)9-6-5-7-10(16-9)13(20)21/h5-8H,1-4H3,(H,15,19)(H,17,18)(H,20,21)
InChIKeyMLSATRYXHZAHNJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.81
Rot. Bonds4

About 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid

6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730289) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730289
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1cccc(C(=O)O)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19N3O4/c1-8(11(18)17-14(2,3)4)15-12(19)9-6-5-7-10(16-9)13(20)21/h5-8H,1-4H3,(H,15,19)(H,17,18)(H,20,21)
InChIKeyMLSATRYXHZAHNJ-UHFFFAOYSA-N
XLogP0.81
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-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

6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113486690
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 47798363
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 47400529
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
CID 91986542
CID 91986542

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid (CID 115730289) is 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid is CC(NC(=O)c1cccc(C(=O)O)n1)C(=O)NC(C)(C)C.
What is the InChIKey of 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MLSATRYXHZAHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8(11(18)17-14(2,3)4)15-12(19)9-6-5-7-10(16-9)13(20)21/h5-8H,1-4H3,(H,15,19)(H,17,18)(H,20,21).
What are the key properties of 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).