N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide

C12H12FN5O2 — CID 107377845

IUPACN-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cnc(NN)cn1
InChIInChI=1S/C12H12FN5O2/c1-20-10-4-7(13)2-3-8(10)17-12(19)9-5-16-11(18-14)6-15-9/h2-6H,14H2,1H3,(H,16,18)(H,17,19)
InChIKeyKSGTWGLEUPHRIA-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.16
Rot. Bonds4

About N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide

N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107377845) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107377845
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cnc(NN)cn1
InChIInChI=1S/C12H12FN5O2/c1-20-10-4-7(13)2-3-8(10)17-12(19)9-5-16-11(18-14)6-15-9/h2-6H,14H2,1H3,(H,16,18)(H,17,19)
InChIKeyKSGTWGLEUPHRIA-UHFFFAOYSA-N
XLogP1.16
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 63724738
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
3-fluoro-N-(4-fluoro-2-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105388058
5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293895
N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284563
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
CID 114918264
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
5-hydrazinyl-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 107377590
4-chloro-N-(4-fluoro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81227053

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107377845) is N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide is COc1cc(F)ccc1NC(=O)c1cnc(NN)cn1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is KSGTWGLEUPHRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2/c1-20-10-4-7(13)2-3-8(10)17-12(19)9-5-16-11(18-14)6-15-9/h2-6H,14H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide?
N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107377845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).