4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid

C14H12ClN3O3 — CID 107371437

IUPAC4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H12ClN3O3/c15-12-8-17-11(7-18-12)13(19)16-6-5-9-1-3-10(4-2-9)14(20)21/h1-4,7-8H,5-6H2,(H,16,19)(H,20,21)
InChIKeyXVYOHMOXZWDXGD-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.80
Rot. Bonds5

About 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid

4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid (PubChem CID 107371437) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
PubChem CID107371437
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H12ClN3O3/c15-12-8-17-11(7-18-12)13(19)16-6-5-9-1-3-10(4-2-9)14(20)21/h1-4,7-8H,5-6H2,(H,16,19)(H,20,21)
InChIKeyXVYOHMOXZWDXGD-UHFFFAOYSA-N
XLogP1.80
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 154857316
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid (CID 107371437) is 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2cnc(Cl)cn2)cc1.
What is the InChIKey of 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is XVYOHMOXZWDXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-12-8-17-11(7-18-12)13(19)16-6-5-9-1-3-10(4-2-9)14(20)21/h1-4,7-8H,5-6H2,(H,16,19)(H,20,21).
What are the key properties of 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid?
4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 305.72 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 107371437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).