1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

C13H15N5O3 — CID 107496820

IUPAC1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)NCc1ccccn1
InChIInChI=1S/C13H15N5O3/c19-12(20)11-8-18(9-17-11)6-5-15-13(21)16-7-10-3-1-2-4-14-10/h1-4,8-9H,5-7H2,(H,19,20)(H2,15,16,21)
InChIKeyGJPDFHIBCBKZCV-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.48
Rot. Bonds6

About 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107496820) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107496820
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)NCc1ccccn1
InChIInChI=1S/C13H15N5O3/c19-12(20)11-8-18(9-17-11)6-5-15-13(21)16-7-10-3-1-2-4-14-10/h1-4,8-9H,5-7H2,(H,19,20)(H2,15,16,21)
InChIKeyGJPDFHIBCBKZCV-UHFFFAOYSA-N
XLogP0.48
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496762
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769
1-[2-[(2-bromophenyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496791
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497772
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498272
1-[2-(1,7-naphthyridine-8-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 166389491
1-[2-[(2-ethoxy-2-methylpropyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498437
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (CID 107496820) is 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is O=C(NCCn1cnc(C(=O)O)c1)NCc1ccccn1.
What is the InChIKey of 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is GJPDFHIBCBKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-12(20)11-8-18(9-17-11)6-5-15-13(21)16-7-10-3-1-2-4-14-10/h1-4,8-9H,5-7H2,(H,19,20)(H2,15,16,21).
What are the key properties of 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).