5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid

C11H14N2O3 — CID 761423

IUPAC5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1cccc(NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-8-4-2-5-9(12-8)13-10(14)6-3-7-11(15)16/h2,4-5H,3,6-7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyWSUHCOTZICXWOY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.58
Rot. Bonds5

About 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid

5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 761423) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID761423
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1cccc(NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-8-4-2-5-9(12-8)13-10(14)6-3-7-11(15)16/h2,4-5H,3,6-7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyWSUHCOTZICXWOY-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Methylpyridin-2-ylcarbamoyl)butyric acid
CID 572788
2-Acetamido-6-methylpyridine
CID 220486
2-Acetoacetamido-6-methylpyridine
CID 268310
5-[(6-Anilinopyrimidin-4-yl)amino]-5-oxopentanoic acid
CID 145981182
N-{1,1,1,3,3,3-hexafluoro-2-[(6-methylpyridin-2-yl)amino]propan-2-yl}propanamide
CID 658503
5-[(4,6-Dimethylpyridin-2-yl)amino]-5-oxopentanoic acid
CID 756904
N-(6-Methylpyridin-2-yl)pivalamide
CID 3251458
N-(6-Methylpyridin-2-yl)perfluorobutanamide
CID 3106080
5-Oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 776619
4-[(4,6-Dimethylpyridin-2-yl)amino]-4-oxobutanoic acid
CID 879590
2-((1-((6-Ethylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11631338
2-((6-Methylpyridin-2-yl)amino)-2-oxoacetic acid
CID 21209128

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid (CID 761423) is 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid is Cc1cccc(NC(=O)CCCC(=O)O)n1.
What is the InChIKey of 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is WSUHCOTZICXWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-4-2-5-9(12-8)13-10(14)6-3-7-11(15)16/h2,4-5H,3,6-7H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid?
5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 761423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).