2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone

C16H25N3O — CID 79070163

IUPAC2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
SMILESCCN(CC)C1(C(=O)Cc2ccnc(N)c2)CCCC1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)16(8-5-6-9-16)14(20)11-13-7-10-18-15(17)12-13/h7,10,12H,3-6,8-9,11H2,1-2H3,(H2,17,18)
InChIKeyHWCLQJZBBOGKCE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone

2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone (PubChem CID 79070163) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
PubChem CID79070163
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
SMILESCCN(CC)C1(C(=O)Cc2ccnc(N)c2)CCCC1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)16(8-5-6-9-16)14(20)11-13-7-10-18-15(17)12-13/h7,10,12H,3-6,8-9,11H2,1-2H3,(H2,17,18)
InChIKeyHWCLQJZBBOGKCE-UHFFFAOYSA-N
XLogP2.43
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone (CID 79070163) is 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone is CCN(CC)C1(C(=O)Cc2ccnc(N)c2)CCCC1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The InChIKey is HWCLQJZBBOGKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(4-2)16(8-5-6-9-16)14(20)11-13-7-10-18-15(17)12-13/h7,10,12H,3-6,8-9,11H2,1-2H3,(H2,17,18).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone is sourced from PubChem (CID 79070163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).