2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C16H22N2O3 — CID 114931870

IUPAC2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cc(C)nc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)17-13(8-11)18-14(19)9-16(10-15(20)21)5-3-4-6-16/h7-8H,3-6,9-10H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyHYHPFISFEWZBLN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.06
Rot. Bonds5

About 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 114931870) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID114931870
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cc(C)nc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)17-13(8-11)18-14(19)9-16(10-15(20)21)5-3-4-6-16/h7-8H,3-6,9-10H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyHYHPFISFEWZBLN-UHFFFAOYSA-N
XLogP3.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070753
2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 65486610
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235067
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573
2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea
CID 86793408
2-[1-[2-(3-iodo-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662784
2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738329
CID 10084917
CID 10084917
2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
CID 116786341
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 119115370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 114931870) is 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1cc(C)nc(NC(=O)CC2(CC(=O)O)CCCC2)c1.
What is the InChIKey of 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is HYHPFISFEWZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-12(2)17-13(8-11)18-14(19)9-16(10-15(20)21)5-3-4-6-16/h7-8H,3-6,9-10H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 114931870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).