1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide

C12H14N2O3 — CID 146620269

IUPAC1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccc(C3OCCO3)n2)CC1
InChIInChI=1S/C12H14N2O3/c13-11(15)12(4-5-12)9-3-1-2-8(14-9)10-16-6-7-17-10/h1-3,10H,4-7H2,(H2,13,15)
InChIKeySABLDAQXEJZUBQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.64
Rot. Bonds3

About 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide

1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 146620269) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID146620269
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccc(C3OCCO3)n2)CC1
InChIInChI=1S/C12H14N2O3/c13-11(15)12(4-5-12)9-3-1-2-8(14-9)10-16-6-7-17-10/h1-3,10H,4-7H2,(H2,13,15)
InChIKeySABLDAQXEJZUBQ-UHFFFAOYSA-N
XLogP0.64
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 146620269) is 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide is NC(=O)C1(c2cccc(C3OCCO3)n2)CC1.
What is the InChIKey of 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is SABLDAQXEJZUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-11(15)12(4-5-12)9-3-1-2-8(14-9)10-16-6-7-17-10/h1-3,10H,4-7H2,(H2,13,15).
What are the key properties of 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146620269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).