6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid

C12H15N3O4 — CID 43429243

IUPAC6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H15N3O4/c1-7(2)15-10(16)6-14-11(17)9-4-3-8(5-13-9)12(18)19/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyQWECNMQTYACEKA-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.03
Rot. Bonds5

About 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid

6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43429243) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID43429243
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H15N3O4/c1-7(2)15-10(16)6-14-11(17)9-4-3-8(5-13-9)12(18)19/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyQWECNMQTYACEKA-UHFFFAOYSA-N
XLogP0.03
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-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

6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
3-[6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76978642
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
5-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 60725372
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984

Frequently Asked Questions

What is the IUPAC name of 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid (CID 43429243) is 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid is CC(C)NC(=O)CNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is QWECNMQTYACEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(2)15-10(16)6-14-11(17)9-4-3-8(5-13-9)12(18)19/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43429243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).