2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide

C13H17N5O — CID 114718031

IUPAC2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cncc1-c1cnccc1N
InChIInChI=1S/C13H17N5O/c1-9(2)17-13(19)7-18-8-16-6-12(18)10-5-15-4-3-11(10)14/h3-6,8-9H,7H2,1-2H3,(H2,14,15)(H,17,19)
InChIKeySFLUGOSWJIIKBS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.05
Rot. Bonds4

About 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide

2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 114718031) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID114718031
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cncc1-c1cnccc1N
InChIInChI=1S/C13H17N5O/c1-9(2)17-13(19)7-18-8-16-6-12(18)10-5-15-4-3-11(10)14/h3-6,8-9H,7H2,1-2H3,(H2,14,15)(H,17,19)
InChIKeySFLUGOSWJIIKBS-UHFFFAOYSA-N
XLogP1.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide (CID 114718031) is 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cncc1-c1cnccc1N.
What is the InChIKey of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is SFLUGOSWJIIKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)17-13(19)7-18-8-16-6-12(18)10-5-15-4-3-11(10)14/h3-6,8-9H,7H2,1-2H3,(H2,14,15)(H,17,19).
What are the key properties of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 114718031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).