6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid

C11H14N4O2 — CID 166942308

IUPAC6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid
SMILESC=C/N=C(/Nc1ccc(C(=O)O)cn1)N(C)C
InChIInChI=1S/C11H14N4O2/c1-4-12-11(15(2)3)14-9-6-5-8(7-13-9)10(16)17/h4-7H,1H2,2-3H3,(H,16,17)(H,12,13,14)
InChIKeyFYMUQOJYJXMMDD-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.25
Rot. Bonds3

About 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid

6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid (PubChem CID 166942308) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid
PubChem CID166942308
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid
SMILESC=C/N=C(/Nc1ccc(C(=O)O)cn1)N(C)C
InChIInChI=1S/C11H14N4O2/c1-4-12-11(15(2)3)14-9-6-5-8(7-13-9)10(16)17/h4-7H,1H2,2-3H3,(H,16,17)(H,12,13,14)
InChIKeyFYMUQOJYJXMMDD-UHFFFAOYSA-N
XLogP1.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(but-2-enoylamino)pyridine-3-carboxylic acid
CID 78969127
6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
CID 61320227
6-[(3-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 22099827
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
6-(2-prop-1-enylhydrazinyl)pyridine-3-carboxylic acid
CID 70287368
hydrazine;6-hydrazinylpyridine-3-carboxylic acid
CID 166604204
6-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 61320435
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61389277

Frequently Asked Questions

What is the IUPAC name of 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid (CID 166942308) is 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid is C=C/N=C(/Nc1ccc(C(=O)O)cn1)N(C)C.
What is the InChIKey of 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is FYMUQOJYJXMMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-12-11(15(2)3)14-9-6-5-8(7-13-9)10(16)17/h4-7H,1H2,2-3H3,(H,16,17)(H,12,13,14).
What are the key properties of 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid?
6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(N'-ethenyl-N,N-dimethylcarbamimidoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 166942308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).