5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide

C14H14ClN3O2 — CID 107372169

IUPAC5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(CCCO)c1)c1cnc(Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c15-13-9-16-12(8-17-13)14(20)18-11-5-1-3-10(7-11)4-2-6-19/h1,3,5,7-9,19H,2,4,6H2,(H,18,20)
InChIKeyGVJWASMHUOSOOI-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.31
Rot. Bonds5

About 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide

5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide (PubChem CID 107372169) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
PubChem CID107372169
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(CCCO)c1)c1cnc(Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c15-13-9-16-12(8-17-13)14(20)18-11-5-1-3-10(7-11)4-2-6-19/h1,3,5,7-9,19H,2,4,6H2,(H,18,20)
InChIKeyGVJWASMHUOSOOI-UHFFFAOYSA-N
XLogP2.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
CID 105387248
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
CID 107372233
5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
CID 43601855

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide (CID 107372169) is 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(CCCO)c1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is GVJWASMHUOSOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-13-9-16-12(8-17-13)14(20)18-11-5-1-3-10(7-11)4-2-6-19/h1,3,5,7-9,19H,2,4,6H2,(H,18,20).
What are the key properties of 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide?
5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107372169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).