2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid

C11H14ClN3O3 — CID 106096927

IUPAC2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
SMILESCC(C)(CC(N)=O)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c1-11(2,4-8(13)16)15-9-3-6(10(17)18)7(12)5-14-9/h3,5H,4H2,1-2H3,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyXEIURIKALIEYOD-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.50
Rot. Bonds5

About 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid

2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid (PubChem CID 106096927) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
PubChem CID106096927
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
SMILESCC(C)(CC(N)=O)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c1-11(2,4-8(13)16)15-9-3-6(10(17)18)7(12)5-14-9/h3,5H,4H2,1-2H3,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyXEIURIKALIEYOD-UHFFFAOYSA-N
XLogP1.50
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
CID 114919669
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
3-methyl-3-[(4-methyl-2-pyridinyl)amino]butanamide
CID 106097095
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid (CID 106096927) is 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid is CC(C)(CC(N)=O)Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
The InChIKey is XEIURIKALIEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-11(2,4-8(13)16)15-9-3-6(10(17)18)7(12)5-14-9/h3,5H,4H2,1-2H3,(H2,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 106096927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).