4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid

C12H15N3O4 — CID 106098142

IUPAC4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(CC(N)=O)NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H15N3O4/c1-12(2,6-9(13)16)15-10(17)7-3-4-14-8(5-7)11(18)19/h3-5H,6H2,1-2H3,(H2,13,16)(H,15,17)(H,18,19)
InChIKeyGERFRXPXYJXVAS-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.16
Rot. Bonds5

About 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid

4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 106098142) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID106098142
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(CC(N)=O)NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H15N3O4/c1-12(2,6-9(13)16)15-10(17)7-3-4-14-8(5-7)11(18)19/h3-5H,6H2,1-2H3,(H2,13,16)(H,15,17)(H,18,19)
InChIKeyGERFRXPXYJXVAS-UHFFFAOYSA-N
XLogP0.16
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 106098402
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
CID 106095377
4-(2-tert-butylsulfinylethylcarbamoyl)pyridine-2-carboxylic acid
CID 119185141
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 106098592
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(3-aminoprop-1-ynyl)-3-methylbenzamide
CID 106098220
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
CID 106096469
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106098399
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 106098142) is 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid is CC(C)(CC(N)=O)NC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is GERFRXPXYJXVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(2,6-9(13)16)15-10(17)7-3-4-14-8(5-7)11(18)19/h3-5H,6H2,1-2H3,(H2,13,16)(H,15,17)(H,18,19).
What are the key properties of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106098142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).