5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide

C14H18N4O2 — CID 79199243

IUPAC5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CCCCO
InChIInChI=1S/C14H18N4O2/c1-11-15-8-9-18(11)14-12(5-4-7-16-14)17-13(20)6-2-3-10-19/h4-5,7-9,19H,2-3,6,10H2,1H3,(H,17,20)
InChIKeyZFMYEXXXJFQNIV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.68
Rot. Bonds6

About 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide

5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide (PubChem CID 79199243) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
PubChem CID79199243
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CCCCO
InChIInChI=1S/C14H18N4O2/c1-11-15-8-9-18(11)14-12(5-4-7-16-14)17-13(20)6-2-3-10-19/h4-5,7-9,19H,2-3,6,10H2,1H3,(H,17,20)
InChIKeyZFMYEXXXJFQNIV-UHFFFAOYSA-N
XLogP1.68
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide (CID 79199243) is 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide is Cc1nccn1-c1ncccc1NC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
The InChIKey is ZFMYEXXXJFQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-15-8-9-18(11)14-12(5-4-7-16-14)17-13(20)6-2-3-10-19/h4-5,7-9,19H,2-3,6,10H2,1H3,(H,17,20).
What are the key properties of 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide has a molecular weight of 274.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 79199243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).