3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid

C14H13N3O3 — CID 63795096

IUPAC3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2cnccn2)c1
InChIInChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-5-4-10-2-1-3-11(8-10)14(19)20/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20)
InChIKeyIZEPEUAKKGYHDJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.15
Rot. Bonds5

About 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid

3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid (PubChem CID 63795096) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
PubChem CID63795096
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2cnccn2)c1
InChIInChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-5-4-10-2-1-3-11(8-10)14(19)20/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20)
InChIKeyIZEPEUAKKGYHDJ-UHFFFAOYSA-N
XLogP1.15
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
CID 110661159
3-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethyl]benzoic acid
CID 63793372
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 8990844
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
CID 63795812
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 110796168
3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
CID 55236658

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid?
The IUPAC name of 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid (CID 63795096) is 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid.
What is the SMILES notation for 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid?
The canonical SMILES for 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid is O=C(O)c1cccc(CCNC(=O)c2cnccn2)c1.
What is the InChIKey of 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid?
The InChIKey is IZEPEUAKKGYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-5-4-10-2-1-3-11(8-10)14(19)20/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20).
What are the key properties of 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid?
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid is sourced from PubChem (CID 63795096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).