2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid

C10H8N2O3 — CID 63614574

IUPAC2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
SMILESC#CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-2-5-12-9(13)8-7(10(14)15)4-3-6-11-8/h1,3-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyRHPMKWSHTIVQKB-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.14
Rot. Bonds3

About 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid

2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63614574) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63614574
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
SMILESC#CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-2-5-12-9(13)8-7(10(14)15)4-3-6-11-8/h1,3-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyRHPMKWSHTIVQKB-UHFFFAOYSA-N
XLogP0.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(but-3-yn-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114414791
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
pyridine-2,3-dicarboxylic acid
CID 1066
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid (CID 63614574) is 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid is C#CCNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is RHPMKWSHTIVQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-2-5-12-9(13)8-7(10(14)15)4-3-6-11-8/h1,3-4,6H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid?
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).