N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide

C16H14F3N7O — CID 167712558

IUPACN'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cn2)cc1Nc1ccc(/C(N)=N\O)nc1
InChIInChI=1S/C16H14F3N7O/c1-26-14(23-10-3-5-12(22-8-10)15(20)25-27)6-13(24-26)11-4-2-9(7-21-11)16(17,18)19/h2-8,23,27H,1H3,(H2,20,25)
InChIKeyFUACVDZAEGZYOD-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.73
Rot. Bonds4

About N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide

N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide (PubChem CID 167712558) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide
PubChem CID167712558
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC NameN'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cn2)cc1Nc1ccc(/C(N)=N\O)nc1
InChIInChI=1S/C16H14F3N7O/c1-26-14(23-10-3-5-12(22-8-10)15(20)25-27)6-13(24-26)11-4-2-9(7-21-11)16(17,18)19/h2-8,23,27H,1H3,(H2,20,25)
InChIKeyFUACVDZAEGZYOD-UHFFFAOYSA-N
XLogP2.73
TPSA114.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585119
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 2746581
3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585112
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide;4-methoxy-2-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]phenol
CID 173245624
5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 164936186
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 164936180
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide
CID 136660056

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide (CID 167712558) is N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide is Cn1nc(-c2ccc(C(F)(F)F)cn2)cc1Nc1ccc(/C(N)=N\O)nc1.
What is the InChIKey of N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide?
The InChIKey is FUACVDZAEGZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c1-26-14(23-10-3-5-12(22-8-10)15(20)25-27)6-13(24-26)11-4-2-9(7-21-11)16(17,18)19/h2-8,23,27H,1H3,(H2,20,25).
What are the key properties of N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide?
N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide has a molecular weight of 377.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide is sourced from PubChem (CID 167712558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).