N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide

C14H16FN5O — CID 107378513

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(NN)cn2)cc1F
InChIInChI=1S/C14H16FN5O/c1-8-3-4-10(5-11(8)15)9(2)19-14(21)12-6-18-13(20-16)7-17-12/h3-7,9H,16H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFFXADWNQXMHDPG-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.70
Rot. Bonds4

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide

N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107378513) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107378513
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(NN)cn2)cc1F
InChIInChI=1S/C14H16FN5O/c1-8-3-4-10(5-11(8)15)9(2)19-14(21)12-6-18-13(20-16)7-17-12/h3-7,9H,16H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFFXADWNQXMHDPG-UHFFFAOYSA-N
XLogP1.70
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107378186
5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
N-[1-(furan-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378104
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 105386943
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377674
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
2,5-dibromo-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-3-carboxamide
CID 107962299

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide (CID 107378513) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cnc(NN)cn2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is FFXADWNQXMHDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-8-3-4-10(5-11(8)15)9(2)19-14(21)12-6-18-13(20-16)7-17-12/h3-7,9H,16H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107378513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).