5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid

C13H18N4O4 — CID 106238714

IUPAC5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESNC(=O)CCCCNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N4O4/c14-11(18)3-1-2-6-15-13(21)17-8-9-4-5-10(12(19)20)16-7-9/h4-5,7H,1-3,6,8H2,(H2,14,18)(H,19,20)(H2,15,17,21)
InChIKeyJPDXUUQGQPSRNR-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.23
Rot. Bonds8

About 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid

5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106238714) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106238714
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESNC(=O)CCCCNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N4O4/c14-11(18)3-1-2-6-15-13(21)17-8-9-4-5-10(12(19)20)16-7-9/h4-5,7H,1-3,6,8H2,(H2,14,18)(H,19,20)(H2,15,17,21)
InChIKeyJPDXUUQGQPSRNR-UHFFFAOYSA-N
XLogP0.23
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.23
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

5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-(benzylcarbamoylamino)pentanamide
CID 106235188
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid (CID 106238714) is 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid is NC(=O)CCCCNC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is JPDXUUQGQPSRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-11(18)3-1-2-6-15-13(21)17-8-9-4-5-10(12(19)20)16-7-9/h4-5,7H,1-3,6,8H2,(H2,14,18)(H,19,20)(H2,15,17,21).
What are the key properties of 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.23, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106238714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).