2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide

C13H17N5O2 — CID 114722000

IUPAC2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cncc1-c1cnccc1N
InChIInChI=1S/C13H17N5O2/c1-20-5-4-17-13(19)8-18-9-16-7-12(18)10-6-15-3-2-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H2,14,15)(H,17,19)
InChIKeyURURJPWDOIKNTB-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.29
Rot. Bonds6

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

2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 114722000) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID114722000
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cncc1-c1cnccc1N
InChIInChI=1S/C13H17N5O2/c1-20-5-4-17-13(19)8-18-9-16-7-12(18)10-6-15-3-2-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H2,14,15)(H,17,19)
InChIKeyURURJPWDOIKNTB-UHFFFAOYSA-N
XLogP0.29
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114722634
3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
CID 114717599
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 114719696
3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716960
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 114721807
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 113405656
3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
CID 114722467
3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104777242

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide (CID 114722000) is 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cncc1-c1cnccc1N.
What is the InChIKey of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is URURJPWDOIKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-20-5-4-17-13(19)8-18-9-16-7-12(18)10-6-15-3-2-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H2,14,15)(H,17,19).
What are the key properties of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114722000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).