N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide

C12H16N2O2 — CID 57169875

IUPACN-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide
SMILESCc1cccc(C(C)ONC(=O)C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-8-4-3-5-11(13-8)9(2)16-14-12(15)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)
InChIKeyOMMRQITTYXLCIV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.91
Rot. Bonds4

About N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide

N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide (PubChem CID 57169875) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide
PubChem CID57169875
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide
SMILESCc1cccc(C(C)ONC(=O)C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-8-4-3-5-11(13-8)9(2)16-14-12(15)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)
InChIKeyOMMRQITTYXLCIV-UHFFFAOYSA-N
XLogP1.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide (CID 57169875) is N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide is Cc1cccc(C(C)ONC(=O)C2CC2)n1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide?
The InChIKey is OMMRQITTYXLCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-4-3-5-11(13-8)9(2)16-14-12(15)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide?
N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)ethoxy]cyclopropanecarboxamide is sourced from PubChem (CID 57169875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).