2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

C13H17N5O2 — CID 79474016

IUPAC2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
SMILESCc1nccn1-c1ncccc1NC(=O)COCCN
InChIInChI=1S/C13H17N5O2/c1-10-15-6-7-18(10)13-11(3-2-5-16-13)17-12(19)9-20-8-4-14/h2-3,5-7H,4,8-9,14H2,1H3,(H,17,19)
InChIKeyMPENOFFUMDHNLT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.49
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 79474016) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
PubChem CID79474016
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
SMILESCc1nccn1-c1ncccc1NC(=O)COCCN
InChIInChI=1S/C13H17N5O2/c1-10-15-6-7-18(10)13-11(3-2-5-16-13)17-12(19)9-20-8-4-14/h2-3,5-7H,4,8-9,14H2,1H3,(H,17,19)
InChIKeyMPENOFFUMDHNLT-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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-(2-aminoethoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79478921
2-(2-fluorophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 51092996
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 51093015
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
2-(3-cyanophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 75479938
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (CID 79474016) is 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is Cc1nccn1-c1ncccc1NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is MPENOFFUMDHNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-15-6-7-18(10)13-11(3-2-5-16-13)17-12(19)9-20-8-4-14/h2-3,5-7H,4,8-9,14H2,1H3,(H,17,19).
What are the key properties of 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 79474016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).