5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid

C12H15N3O4 — CID 114134244

IUPAC5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C)C(=O)CNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H15N3O4/c1-3-15(2)10(16)7-14-11(17)8-4-5-9(12(18)19)13-6-8/h4-6H,3,7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyVLPLIINVBZOPHQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.01
Rot. Bonds5

About 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid

5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 114134244) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID114134244
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C)C(=O)CNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H15N3O4/c1-3-15(2)10(16)7-14-11(17)8-4-5-9(12(18)19)13-6-8/h4-6H,3,7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyVLPLIINVBZOPHQ-UHFFFAOYSA-N
XLogP-0.01
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 114132588
3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 104920331
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114132536
N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
CID 112696045
5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103722129
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103738125

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid (CID 114134244) is 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid is CCN(C)C(=O)CNC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VLPLIINVBZOPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-15(2)10(16)7-14-11(17)8-4-5-9(12(18)19)13-6-8/h4-6H,3,7H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114134244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).