5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide

C14H12ClN3O3 — CID 107372233

IUPAC5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClN3O3/c15-12-8-16-11(7-17-12)13(19)18-10-3-1-2-9(6-10)14-20-4-5-21-14/h1-3,6-8,14H,4-5H2,(H,18,19)
InChIKeyPZBNGQJXHPQWAI-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.43
Rot. Bonds3

About 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide

5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 107372233) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
PubChem CID107372233
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClN3O3/c15-12-8-16-11(7-17-12)13(19)18-10-3-1-2-9(6-10)14-20-4-5-21-14/h1-3,6-8,14H,4-5H2,(H,18,19)
InChIKeyPZBNGQJXHPQWAI-UHFFFAOYSA-N
XLogP2.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
CID 106913106
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
CID 107372169
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide (CID 107372233) is 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(C2OCCO2)c1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is PZBNGQJXHPQWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-12-8-16-11(7-17-12)13(19)18-10-3-1-2-9(6-10)14-20-4-5-21-14/h1-3,6-8,14H,4-5H2,(H,18,19).
What are the key properties of 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide?
5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107372233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).