5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid

C13H19N3O3 — CID 63158131

IUPAC5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)CCN(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H19N3O3/c1-9(2)4-5-16(3)13(19)15-11-6-10(12(17)18)7-14-8-11/h6-9H,4-5H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYNNXIGOJHMTXQP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.29
Rot. Bonds5

About 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63158131) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63158131
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)CCN(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H19N3O3/c1-9(2)4-5-16(3)13(19)15-11-6-10(12(17)18)7-14-8-11/h6-9H,4-5H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYNNXIGOJHMTXQP-UHFFFAOYSA-N
XLogP2.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 63653370
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 61429218

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 63158131) is 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid is CC(C)CCN(C)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is YNNXIGOJHMTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)4-5-16(3)13(19)15-11-6-10(12(17)18)7-14-8-11/h6-9H,4-5H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).