2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid

C9H12N4O3 — CID 174445183

IUPAC2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid
SMILESCC(NNC(N)=O)c1ncccc1C(=O)O
InChIInChI=1S/C9H12N4O3/c1-5(12-13-9(10)16)7-6(8(14)15)3-2-4-11-7/h2-5,12H,1H3,(H,14,15)(H3,10,13,16)
InChIKeyMECWTRVIZHTNMY-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.01
Rot. Bonds4

About 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid

2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid (PubChem CID 174445183) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid
PubChem CID174445183
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid
SMILESCC(NNC(N)=O)c1ncccc1C(=O)O
InChIInChI=1S/C9H12N4O3/c1-5(12-13-9(10)16)7-6(8(14)15)3-2-4-11-7/h2-5,12H,1H3,(H,14,15)(H3,10,13,16)
InChIKeyMECWTRVIZHTNMY-UHFFFAOYSA-N
XLogP0.01
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
2-(1-amino-2-hydroxyethyl)pyridine-3-carboxylic acid
CID 55293543
2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
CID 171866199
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171881352
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
CID 140528330

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid (CID 174445183) is 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid is CC(NNC(N)=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid?
The InChIKey is MECWTRVIZHTNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5(12-13-9(10)16)7-6(8(14)15)3-2-4-11-7/h2-5,12H,1H3,(H,14,15)(H3,10,13,16).
What are the key properties of 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid?
2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 174445183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).