1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid

C12H14N2O4 — CID 82903265

IUPAC1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(Cn1ccc(C(=O)O)cc1=O)NCC1CC1
InChIInChI=1S/C12H14N2O4/c15-10(13-6-8-1-2-8)7-14-4-3-9(12(17)18)5-11(14)16/h3-5,8H,1-2,6-7H2,(H,13,15)(H,17,18)
InChIKeyQRRUECOISHLTIG-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.07
Rot. Bonds5

About 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid

1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 82903265) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
PubChem CID82903265
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(Cn1ccc(C(=O)O)cc1=O)NCC1CC1
InChIInChI=1S/C12H14N2O4/c15-10(13-6-8-1-2-8)7-14-4-3-9(12(17)18)5-11(14)16/h3-5,8H,1-2,6-7H2,(H,13,15)(H,17,18)
InChIKeyQRRUECOISHLTIG-UHFFFAOYSA-N
XLogP0.07
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyanomethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82898006
1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82901827
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]acetamide
CID 164637207
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396
2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107920232
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 99779157
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101870

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid (CID 82903265) is 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid is O=C(Cn1ccc(C(=O)O)cc1=O)NCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is QRRUECOISHLTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(13-6-8-1-2-8)7-14-4-3-9(12(17)18)5-11(14)16/h3-5,8H,1-2,6-7H2,(H,13,15)(H,17,18).
What are the key properties of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82903265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).