1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid

C12H16N2O3 — CID 55140850

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)ccc1=O)C1CC1
InChIInChI=1S/C12H16N2O3/c1-13(10-3-4-10)6-7-14-8-9(12(16)17)2-5-11(14)15/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyZUWSIPHLBHUOBI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.64
Rot. Bonds5

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid

1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 55140850) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID55140850
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)ccc1=O)C1CC1
InChIInChI=1S/C12H16N2O3/c1-13(10-3-4-10)6-7-14-8-9(12(16)17)2-5-11(14)15/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyZUWSIPHLBHUOBI-UHFFFAOYSA-N
XLogP0.64
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 63316438
5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 61439168
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61488673
1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875782
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934
1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
CID 113464125
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
1-(3-methoxy-3-methylbutyl)-6-oxopyridine-3-carboxylic acid
CID 103034230
6-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxylic acid
CID 115514358
1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61071803
1-[2-(dimethylamino)ethyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166240

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid (CID 55140850) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid is CN(CCn1cc(C(=O)O)ccc1=O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is ZUWSIPHLBHUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13(10-3-4-10)6-7-14-8-9(12(16)17)2-5-11(14)15/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,17).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 55140850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).