1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid

C12H11N5O2 — CID 107498964

IUPAC1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESN#Cc1ccnc(NCCn2cnc(C(=O)O)c2)c1
InChIInChI=1S/C12H11N5O2/c13-6-9-1-2-14-11(5-9)15-3-4-17-7-10(12(18)19)16-8-17/h1-2,5,7-8H,3-4H2,(H,14,15)(H,18,19)
InChIKeyUFSOBHSBJKVRSK-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.96
Rot. Bonds5

About 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107498964) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107498964
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESN#Cc1ccnc(NCCn2cnc(C(=O)O)c2)c1
InChIInChI=1S/C12H11N5O2/c13-6-9-1-2-14-11(5-9)15-3-4-17-7-10(12(18)19)16-8-17/h1-2,5,7-8H,3-4H2,(H,14,15)(H,18,19)
InChIKeyUFSOBHSBJKVRSK-UHFFFAOYSA-N
XLogP0.96
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-cyano-4-fluoroanilino)ethyl]imidazole-4-carboxylic acid
CID 107498634
1-[2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498571
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051
ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate
CID 126836734
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498453
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 80683010
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-(4-carbamoyl-3-chloroanilino)ethyl]imidazole-4-carboxylic acid
CID 107499109
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
1-[2-[(6-nitro-3-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498849

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107498964) is 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid is N#Cc1ccnc(NCCn2cnc(C(=O)O)c2)c1.
What is the InChIKey of 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is UFSOBHSBJKVRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c13-6-9-1-2-14-11(5-9)15-3-4-17-7-10(12(18)19)16-8-17/h1-2,5,7-8H,3-4H2,(H,14,15)(H,18,19).
What are the key properties of 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).