(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone

C13H18N2O2 — CID 116608155

IUPAC(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
SMILESCCC1(C(=O)c2cncc(OC)c2)CCCN1
InChIInChI=1S/C13H18N2O2/c1-3-13(5-4-6-15-13)12(16)10-7-11(17-2)9-14-8-10/h7-9,15H,3-6H2,1-2H3
InChIKeyMKBOEZPXNDWPBJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds4

About (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone

(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 116608155) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID116608155
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
SMILESCCC1(C(=O)c2cncc(OC)c2)CCCN1
InChIInChI=1S/C13H18N2O2/c1-3-13(5-4-6-15-13)12(16)10-7-11(17-2)9-14-8-10/h7-9,15H,3-6H2,1-2H3
InChIKeyMKBOEZPXNDWPBJ-UHFFFAOYSA-N
XLogP1.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
CID 116608174
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982335
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201
(2-methylpiperidin-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116614075
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone
CID 116569701
(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608284

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone (CID 116608155) is (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone is CCC1(C(=O)c2cncc(OC)c2)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is MKBOEZPXNDWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-13(5-4-6-15-13)12(16)10-7-11(17-2)9-14-8-10/h7-9,15H,3-6H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone?
(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116608155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).