3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide

C14H17FN4OS — CID 105388398

IUPAC3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(CC(C)NC(=O)c2ccnc(NN)c2F)s1
InChIInChI=1S/C14H17FN4OS/c1-8(7-10-4-3-9(2)21-10)18-14(20)11-5-6-17-13(19-16)12(11)15/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIBBBEDMWRRCNOM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds5

About 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 105388398) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
PubChem CID105388398
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(CC(C)NC(=O)c2ccnc(NN)c2F)s1
InChIInChI=1S/C14H17FN4OS/c1-8(7-10-4-3-9(2)21-10)18-14(20)11-5-6-17-13(19-16)12(11)15/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIBBBEDMWRRCNOM-UHFFFAOYSA-N
XLogP2.24
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.24
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

3-fluoro-2-hydrazinyl-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105388315
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388598
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105388578
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105388401
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388576
3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105386176
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide (CID 105388398) is 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide is Cc1ccc(CC(C)NC(=O)c2ccnc(NN)c2F)s1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is IBBBEDMWRRCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-8(7-10-4-3-9(2)21-10)18-14(20)11-5-6-17-13(19-16)12(11)15/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 105388398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).