1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide

C11H15N3O2 — CID 65467015

IUPAC1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCOc1ncccc1NC(=O)C1(N)CC1
InChIInChI=1S/C11H15N3O2/c1-2-16-9-8(4-3-7-13-9)14-10(15)11(12)5-6-11/h3-4,7H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyVGEYKEMMULUYNI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.91
Rot. Bonds4

About 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide

1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 65467015) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID65467015
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCOc1ncccc1NC(=O)C1(N)CC1
InChIInChI=1S/C11H15N3O2/c1-2-16-9-8(4-3-7-13-9)14-10(15)11(12)5-6-11/h3-4,7H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyVGEYKEMMULUYNI-UHFFFAOYSA-N
XLogP0.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide (CID 65467015) is 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide is CCOc1ncccc1NC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is VGEYKEMMULUYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-9-8(4-3-7-13-9)14-10(15)11(12)5-6-11/h3-4,7H,2,5-6,12H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65467015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).