6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid

C12H16N2O3 — CID 43427288

IUPAC6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCCC(C)NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-3-4-8(2)14-11(15)10-6-5-9(7-13-10)12(16)17/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJYOBCZRAZGCSJB-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.70
Rot. Bonds5

About 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid

6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 43427288) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID43427288
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCCC(C)NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-3-4-8(2)14-11(15)10-6-5-9(7-13-10)12(16)17/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJYOBCZRAZGCSJB-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-(hex-1-yn-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106232900
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242

Frequently Asked Questions

What is the IUPAC name of 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 43427288) is 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid is CCCC(C)NC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is JYOBCZRAZGCSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-8(2)14-11(15)10-6-5-9(7-13-10)12(16)17/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43427288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).