N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide

C15H17FN4O — CID 105072340

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccncc2NN)cc(C)c1F
InChIInChI=1S/C15H17FN4O/c1-9-5-11(6-10(2)14(9)16)7-19-15(21)12-3-4-18-8-13(12)20-17/h3-6,8,20H,7,17H2,1-2H3,(H,19,21)
InChIKeyRPUIEQPMCHXMSJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.05
Rot. Bonds4

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide (PubChem CID 105072340) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide
PubChem CID105072340
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccncc2NN)cc(C)c1F
InChIInChI=1S/C15H17FN4O/c1-9-5-11(6-10(2)14(9)16)7-19-15(21)12-3-4-18-8-13(12)20-17/h3-6,8,20H,7,17H2,1-2H3,(H,19,21)
InChIKeyRPUIEQPMCHXMSJ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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

N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773
3-hydrazinyl-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 105071540
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
N-[(5-ethylthiophen-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106012825
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106377464
N-(3-fluoro-4-pyridinyl)-3-hydrazinylpyridine-4-carboxamide
CID 107595570
N-[2-(ethylamino)-2-oxoethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072034
3-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 105072187
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydroxybenzamide
CID 114344540
3-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105071873
3-hydrazinyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 105071908

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide (CID 105072340) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide is Cc1cc(CNC(=O)c2ccncc2NN)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide?
The InChIKey is RPUIEQPMCHXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9-5-11(6-10(2)14(9)16)7-19-15(21)12-3-4-18-8-13(12)20-17/h3-6,8,20H,7,17H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105072340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).