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

C13H16N2O4 — CID 61488673

IUPAC1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCCN(C(=O)Cn1cc(C(=O)O)ccc1=O)C1CC1
InChIInChI=1S/C13H16N2O4/c1-2-15(10-4-5-10)12(17)8-14-7-9(13(18)19)3-6-11(14)16/h3,6-7,10H,2,4-5,8H2,1H3,(H,18,19)
InChIKeyHMRIEGHCDNIHPD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.56
Rot. Bonds5

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

1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 61488673) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID61488673
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCCN(C(=O)Cn1cc(C(=O)O)ccc1=O)C1CC1
InChIInChI=1S/C13H16N2O4/c1-2-15(10-4-5-10)12(17)8-14-7-9(13(18)19)3-6-11(14)16/h3,6-7,10H,2,4-5,8H2,1H3,(H,18,19)
InChIKeyHMRIEGHCDNIHPD-UHFFFAOYSA-N
XLogP0.56
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885909
6-Oxo-1-(propan-2-yl)-1,6-dihydropyridine-3-carboxylic acid
CID 21885916
1-[2-(Dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 18179613
6-Oxo-1-propyl-1,6-dihydropyridine-3-carboxylic acid
CID 21885891
1-Dimethylcarbamoylmethyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid
CID 28280497
1-[2-(Diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 28534963
1-Cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid
CID 66845073
1-(1-Methylcyclopropyl)-6-oxopyridine-3-carboxylic acid
CID 116194206
5-Amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid
CID 130268268
1-(1-Methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid
CID 130696677
1-Cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid
CID 141085188
1-[(2E,4E)-2-[(E)-but-1-enyl]-6-[ethyl(propanoyl)amino]-5-methylhexa-2,4-dienyl]-6-oxopyridine-3-carboxylic acid
CID 144880706

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (CID 61488673) is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is CCN(C(=O)Cn1cc(C(=O)O)ccc1=O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is HMRIEGHCDNIHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-15(10-4-5-10)12(17)8-14-7-9(13(18)19)3-6-11(14)16/h3,6-7,10H,2,4-5,8H2,1H3,(H,18,19).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 61488673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).