5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid

C13H20N4O3 — CID 63157813

IUPAC5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCN(C)CCCCNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H20N4O3/c1-17(2)6-4-3-5-15-13(20)16-11-7-10(12(18)19)8-14-9-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyFFKUBVBEWLFVCY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.24
Rot. Bonds7

About 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid

5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63157813) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
PubChem CID63157813
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCN(C)CCCCNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H20N4O3/c1-17(2)6-4-3-5-15-13(20)16-11-7-10(12(18)19)8-14-9-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyFFKUBVBEWLFVCY-UHFFFAOYSA-N
XLogP1.24
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.24
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-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196
3,5-dichloro-4-[3-(dimethylamino)propylcarbamoylamino]benzoic acid
CID 82812445
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid (CID 63157813) is 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid is CN(C)CCCCNC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is FFKUBVBEWLFVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17(2)6-4-3-5-15-13(20)16-11-7-10(12(18)19)8-14-9-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid?
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).