5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid

C14H22N4O3 — CID 63157858

IUPAC5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H22N4O3/c1-4-5-18(7-6-17(2)3)14(21)16-12-8-11(13(19)20)9-15-10-12/h8-10H,4-7H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyABPISHVZYFIUEI-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.59
Rot. Bonds7

About 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid

5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63157858) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63157858
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H22N4O3/c1-4-5-18(7-6-17(2)3)14(21)16-12-8-11(13(19)20)9-15-10-12/h8-10H,4-7H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyABPISHVZYFIUEI-UHFFFAOYSA-N
XLogP1.59
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157676
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158037
5-[4-(dimethylamino)but-2-enoylamino]pyridine-3-carboxylic acid
CID 138491249
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-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid (CID 63157858) is 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid is CCCN(CCN(C)C)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ABPISHVZYFIUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-5-18(7-6-17(2)3)14(21)16-12-8-11(13(19)20)9-15-10-12/h8-10H,4-7H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid?
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).