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

C13H19N3O4 — CID 107201511

IUPAC5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(CCCCCO)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H19N3O4/c1-16(5-3-2-4-6-17)13(20)15-11-7-10(12(18)19)8-14-9-11/h7-9,17H,2-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyIEIZNHNIISIXEP-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.41
Rot. Bonds7

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

5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 107201511) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID107201511
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(CCCCCO)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H19N3O4/c1-16(5-3-2-4-6-17)13(20)15-11-7-10(12(18)19)8-14-9-11/h7-9,17H,2-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyIEIZNHNIISIXEP-UHFFFAOYSA-N
XLogP1.41
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181
3-[4-(aminomethyl)phenyl]-1-(5-hydroxypentyl)-1-methylurea
CID 107201384
5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157676
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641

Frequently Asked Questions

What is the IUPAC name of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 107201511) is 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid is CN(CCCCCO)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is IEIZNHNIISIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-16(5-3-2-4-6-17)13(20)15-11-7-10(12(18)19)8-14-9-11/h7-9,17H,2-6H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 107201511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).