1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide

C12H16N4O4 — CID 47394472

IUPAC1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)NC(=O)Cn1cc(C(=O)NC)ccc1=O
InChIInChI=1S/C12H16N4O4/c1-3-14-12(20)15-9(17)7-16-6-8(11(19)13-2)4-5-10(16)18/h4-6H,3,7H2,1-2H3,(H,13,19)(H2,14,15,17,20)
InChIKeyYPQKVXNMSQZEHD-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.95
Rot. Bonds4

About 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 47394472) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID47394472
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)NC(=O)Cn1cc(C(=O)NC)ccc1=O
InChIInChI=1S/C12H16N4O4/c1-3-14-12(20)15-9(17)7-16-6-8(11(19)13-2)4-5-10(16)18/h4-6H,3,7H2,1-2H3,(H,13,19)(H2,14,15,17,20)
InChIKeyYPQKVXNMSQZEHD-UHFFFAOYSA-N
XLogP-0.95
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 70972239
1-[2-(4-ethylanilino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505343
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505612
1-[2-(butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 54956643
N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 70972246
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid
CID 29276110
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505336
N-(ethylcarbamoyl)benzamide
CID 23273840
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 43041430
1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61489099
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
4-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]-N-methylbenzamide
CID 60984866

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide (CID 47394472) is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide is CCNC(=O)NC(=O)Cn1cc(C(=O)NC)ccc1=O.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is YPQKVXNMSQZEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-3-14-12(20)15-9(17)7-16-6-8(11(19)13-2)4-5-10(16)18/h4-6H,3,7H2,1-2H3,(H,13,19)(H2,14,15,17,20).
What are the key properties of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47394472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).