N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide

C12H13F3N4O — CID 10803099

IUPACN'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
SMILESCc1cc(C(F)(F)F)nc(NNC(=O)C(C)C)c1C#N
InChIInChI=1S/C12H13F3N4O/c1-6(2)11(20)19-18-10-8(5-16)7(3)4-9(17-10)12(13,14)15/h4,6H,1-3H3,(H,17,18)(H,19,20)
InChIKeyPMWDWPVBBGNXIC-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.38
Rot. Bonds3

About N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide

N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide (PubChem CID 10803099) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
PubChem CID10803099
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC NameN'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
SMILESCc1cc(C(F)(F)F)nc(NNC(=O)C(C)C)c1C#N
InChIInChI=1S/C12H13F3N4O/c1-6(2)11(20)19-18-10-8(5-16)7(3)4-9(17-10)12(13,14)15/h4,6H,1-3H3,(H,17,18)(H,19,20)
InChIKeyPMWDWPVBBGNXIC-UHFFFAOYSA-N
XLogP2.38
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53269873
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130681330
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 1229880
N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
CID 165002548
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide
CID 165108690
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
CID 115626557
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
CID 60658746
methyl 3-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133106210
ethyl 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 56691280
N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide
CID 10567756
2-[4-[2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoylamino]phenyl]quinoline-4-carboxylic acid
CID 21168725

Frequently Asked Questions

What is the IUPAC name of N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide (CID 10803099) is N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide is Cc1cc(C(F)(F)F)nc(NNC(=O)C(C)C)c1C#N.
What is the InChIKey of N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
The InChIKey is PMWDWPVBBGNXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-6(2)11(20)19-18-10-8(5-16)7(3)4-9(17-10)12(13,14)15/h4,6H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide?
N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide has a molecular weight of 286.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide is sourced from PubChem (CID 10803099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).