5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid

C15H23N3O3 — CID 63158039

IUPAC5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-10(2)5-4-6-11(3)17-15(21)18-13-7-12(14(19)20)8-16-9-13/h7-11H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyAZVGWJHHYHZNFO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.12
Rot. Bonds7

About 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid

5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 63158039) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID63158039
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-10(2)5-4-6-11(3)17-15(21)18-13-7-12(14(19)20)8-16-9-13/h7-11H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyAZVGWJHHYHZNFO-UHFFFAOYSA-N
XLogP3.12
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(octan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158184
5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 113457986
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
3-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63925725
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid (CID 63158039) is 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid is CC(C)CCCC(C)NC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is AZVGWJHHYHZNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)5-4-6-11(3)17-15(21)18-13-7-12(14(19)20)8-16-9-13/h7-11H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid?
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).