5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid

C12H15N3O4 — CID 61030950

IUPAC5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)nc1)C(=O)N(C)C
InChIInChI=1S/C12H15N3O4/c1-7(11(17)15(2)3)14-10(16)8-4-5-9(12(18)19)13-6-8/h4-7H,1-3H3,(H,14,16)(H,18,19)
InChIKeyUWULNVYGJYCGRI-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.01
Rot. Bonds4

About 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid

5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 61030950) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID61030950
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)nc1)C(=O)N(C)C
InChIInChI=1S/C12H15N3O4/c1-7(11(17)15(2)3)14-10(16)8-4-5-9(12(18)19)13-6-8/h4-7H,1-3H3,(H,14,16)(H,18,19)
InChIKeyUWULNVYGJYCGRI-UHFFFAOYSA-N
XLogP-0.01
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61466256
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 113329868
pyridine-2,5-dicarboxylic acid
CID 158970171
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 62954188
5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 103110414

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid (CID 61030950) is 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)nc1)C(=O)N(C)C.
What is the InChIKey of 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UWULNVYGJYCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(11(17)15(2)3)14-10(16)8-4-5-9(12(18)19)13-6-8/h4-7H,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61030950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).