6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid

C10H14N4O3 — CID 106904907

IUPAC6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
SMILESNC(=O)NCCNCc1cccc(C(=O)O)n1
InChIInChI=1S/C10H14N4O3/c11-10(17)13-5-4-12-6-7-2-1-3-8(14-7)9(15)16/h1-3,12H,4-6H2,(H,15,16)(H3,11,13,17)
InChIKeyJPTYSQCDLQSMJQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.46
Rot. Bonds6

About 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid

6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904907) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904907
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
SMILESNC(=O)NCCNCc1cccc(C(=O)O)n1
InChIInChI=1S/C10H14N4O3/c11-10(17)13-5-4-12-6-7-2-1-3-8(14-7)9(15)16/h1-3,12H,4-6H2,(H,15,16)(H3,11,13,17)
InChIKeyJPTYSQCDLQSMJQ-UHFFFAOYSA-N
XLogP-0.46
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid
CID 106904547
6-[(2-thiomorpholin-4-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106325986
cadmium(2+);6-[[2-[(6-carboxylato-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate;dihydrate
CID 139151242
6-[(3-phenoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904670
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid (CID 106904907) is 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid is NC(=O)NCCNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is JPTYSQCDLQSMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-10(17)13-5-4-12-6-7-2-1-3-8(14-7)9(15)16/h1-3,12H,4-6H2,(H,15,16)(H3,11,13,17).
What are the key properties of 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid?
6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).