3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide

C15H17FN4O — CID 105388132

IUPAC3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccnc(NN)c2F)c1
InChIInChI=1S/C15H17FN4O/c1-9(2)10-4-3-5-11(8-10)19-15(21)12-6-7-18-14(20-17)13(12)16/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOBTHTWQCDYMFCL-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.88
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 105388132) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID105388132
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccnc(NN)c2F)c1
InChIInChI=1S/C15H17FN4O/c1-9(2)10-4-3-5-11(8-10)19-15(21)12-6-7-18-14(20-17)13(12)16/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOBTHTWQCDYMFCL-UHFFFAOYSA-N
XLogP2.88
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-fluoro-N-(3-fluorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387962
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923
N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387967
5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388543
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388598
2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
CID 103939983
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
3-fluoro-N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387986

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide (CID 105388132) is 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide is CC(C)c1cccc(NC(=O)c2ccnc(NN)c2F)c1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is OBTHTWQCDYMFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9(2)10-4-3-5-11(8-10)19-15(21)12-6-7-18-14(20-17)13(12)16/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105388132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).