5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid

C13H19N3O3 — CID 113457986

IUPAC5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
SMILESCC(NC(=O)Nc1cncc(C(=O)O)c1)C(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-8(13(2,3)4)15-12(19)16-10-5-9(11(17)18)6-14-7-10/h5-8H,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyDLFJMXUINSGGMJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.34
Rot. Bonds3

About 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid

5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 113457986) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID113457986
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
SMILESCC(NC(=O)Nc1cncc(C(=O)O)c1)C(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-8(13(2,3)4)15-12(19)16-10-5-9(11(17)18)6-14-7-10/h5-8H,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyDLFJMXUINSGGMJ-UHFFFAOYSA-N
XLogP2.34
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
5-(octan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158184
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104829215
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 104829296
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
CID 81079129
5-(but-2-ynoylamino)pyridine-3-carboxylic acid
CID 107986663

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid (CID 113457986) is 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid is CC(NC(=O)Nc1cncc(C(=O)O)c1)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is DLFJMXUINSGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(13(2,3)4)15-12(19)16-10-5-9(11(17)18)6-14-7-10/h5-8H,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 113457986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).