3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid

C9H9ClN4O3 — CID 118279389

IUPAC3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid
SMILESO=C(NC1CN(C(=O)O)C1)c1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4O3/c10-7-2-11-1-6(13-7)8(15)12-5-3-14(4-5)9(16)17/h1-2,5H,3-4H2,(H,12,15)(H,16,17)
InChIKeySSSXANTZEUEECA-UHFFFAOYSA-N
MW256.65 g/mol
LogP0.22
Rot. Bonds2

About 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid

3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid (PubChem CID 118279389) has the molecular formula C9H9ClN4O3 and a molecular weight of 256.65 g/mol. Its IUPAC name is 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid
PubChem CID118279389
Molecular FormulaC9H9ClN4O3
Molecular Weight256.65 g/mol
Exact Mass256.04
IUPAC Name3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid
SMILESO=C(NC1CN(C(=O)O)C1)c1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4O3/c10-7-2-11-1-6(13-7)8(15)12-5-3-14(4-5)9(16)17/h1-2,5H,3-4H2,(H,12,15)(H,16,17)
InChIKeySSSXANTZEUEECA-UHFFFAOYSA-N
XLogP0.22
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321292
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 106551335
6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
CID 106551626
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 106551559
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
bis(6-chloropyrazin-2-yl)methanone
CID 152688598

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid (CID 118279389) is 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid is O=C(NC1CN(C(=O)O)C1)c1cncc(Cl)n1.
What is the InChIKey of 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid?
The InChIKey is SSSXANTZEUEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O3/c10-7-2-11-1-6(13-7)8(15)12-5-3-14(4-5)9(16)17/h1-2,5H,3-4H2,(H,12,15)(H,16,17).
What are the key properties of 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid?
3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid has a molecular weight of 256.65 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid is sourced from PubChem (CID 118279389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).