5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid

C12H16N2O3 — CID 2812026

IUPAC5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCCc1ccnc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-2-9-6-7-13-10(8-9)14-11(15)4-3-5-12(16)17/h6-8H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyPOUJCLJSPKEHQX-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.84
Rot. Bonds6

About 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid

5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 2812026) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID2812026
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCCc1ccnc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-2-9-6-7-13-10(8-9)14-11(15)4-3-5-12(16)17/h6-8H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyPOUJCLJSPKEHQX-UHFFFAOYSA-N
XLogP1.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738329
1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
CID 143056768
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
(E)-3-[2-(hexanoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822109
N-(4-ethyl-2-pyridinyl)-5-hydroxy-2-methylpyridine-4-carboxamide
CID 155917131
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
CID 115273439
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid (CID 2812026) is 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid is CCc1ccnc(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is POUJCLJSPKEHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-9-6-7-13-10(8-9)14-11(15)4-3-5-12(16)17/h6-8H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 2812026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).