4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide

C11H13N5O — CID 55071243

IUPAC4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESNCCc1nccn1-c1ccnc(C(N)=O)c1
InChIInChI=1S/C11H13N5O/c12-3-1-10-15-5-6-16(10)8-2-4-14-9(7-8)11(13)17/h2,4-7H,1,3,12H2,(H2,13,17)
InChIKeyRGXVECUGFJEHBE-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.13
Rot. Bonds4

About 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide

4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide (PubChem CID 55071243) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide
PubChem CID55071243
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESNCCc1nccn1-c1ccnc(C(N)=O)c1
InChIInChI=1S/C11H13N5O/c12-3-1-10-15-5-6-16(10)8-2-4-14-9(7-8)11(13)17/h2,4-7H,1,3,12H2,(H2,13,17)
InChIKeyRGXVECUGFJEHBE-UHFFFAOYSA-N
XLogP-0.13
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide (CID 55071243) is 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide is NCCc1nccn1-c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide?
The InChIKey is RGXVECUGFJEHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-3-1-10-15-5-6-16(10)8-2-4-14-9(7-8)11(13)17/h2,4-7H,1,3,12H2,(H2,13,17).
What are the key properties of 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide?
4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 55071243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).