(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone

C13H17ClN2O2 — CID 116747900

IUPAC(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)c2cc(Cl)cnc2N)CCCC1
InChIInChI=1S/C13H17ClN2O2/c1-2-18-13(5-3-4-6-13)11(17)10-7-9(14)8-16-12(10)15/h7-8H,2-6H2,1H3,(H2,15,16)
InChIKeyBSIOYIOIRLFKCO-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.85
Rot. Bonds4

About (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone

(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone (PubChem CID 116747900) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone
PubChem CID116747900
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)c2cc(Cl)cnc2N)CCCC1
InChIInChI=1S/C13H17ClN2O2/c1-2-18-13(5-3-4-6-13)11(17)10-7-9(14)8-16-12(10)15/h7-8H,2-6H2,1H3,(H2,15,16)
InChIKeyBSIOYIOIRLFKCO-UHFFFAOYSA-N
XLogP2.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone (CID 116747900) is (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone is CCOC1(C(=O)c2cc(Cl)cnc2N)CCCC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone?
The InChIKey is BSIOYIOIRLFKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-18-13(5-3-4-6-13)11(17)10-7-9(14)8-16-12(10)15/h7-8H,2-6H2,1H3,(H2,15,16).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone is sourced from PubChem (CID 116747900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).