2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C16H22N2O3 — CID 2812027

IUPAC2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCc1ccnc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-8-17-13(9-12)18-14(19)10-16(11-15(20)21)6-3-4-7-16/h5,8-9H,2-4,6-7,10-11H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyARVDGNQEACHOQR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 2812027) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID2812027
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCc1ccnc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-8-17-13(9-12)18-14(19)10-16(11-15(20)21)6-3-4-7-16/h5,8-9H,2-4,6-7,10-11H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyARVDGNQEACHOQR-UHFFFAOYSA-N
XLogP3.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 2812027) is 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CCc1ccnc(NC(=O)CC2(CC(=O)O)CCCC2)c1.
What is the InChIKey of 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ARVDGNQEACHOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-5-8-17-13(9-12)18-14(19)10-16(11-15(20)21)6-3-4-7-16/h5,8-9H,2-4,6-7,10-11H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 2812027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).