N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide

C17H15F3N6O3 — CID 153188718

IUPACN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(N(O)O)c2)nc1N
InChIInChI=1S/C17H15F3N6O3/c1-25-12(8-13(24-25)17(18,19)20)11-5-6-14(22-15(11)21)23-16(27)9-3-2-4-10(7-9)26(28)29/h2-8,28-29H,1H3,(H3,21,22,23,27)
InChIKeyWHPFHVHQWFQUFM-UHFFFAOYSA-N
MW408.34 g/mol
LogP2.92
Rot. Bonds4

About N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide

N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide (PubChem CID 153188718) has the molecular formula C17H15F3N6O3 and a molecular weight of 408.34 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide.

Molecular Properties

Compound NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
PubChem CID153188718
Molecular FormulaC17H15F3N6O3
Molecular Weight408.34 g/mol
Exact Mass408.12
IUPAC NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(N(O)O)c2)nc1N
InChIInChI=1S/C17H15F3N6O3/c1-25-12(8-13(24-25)17(18,19)20)11-5-6-14(22-15(11)21)23-16(27)9-3-2-4-10(7-9)26(28)29/h2-8,28-29H,1H3,(H3,21,22,23,27)
InChIKeyWHPFHVHQWFQUFM-UHFFFAOYSA-N
XLogP2.92
TPSA129.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide
CID 58487164
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide
CID 88885243
N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487174
6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
CID 71105505
3-amino-N-(1-benzofuran-2-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 54596347
1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone
CID 58487080
N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide
CID 58486734
N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide
CID 164806019
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
CID 159513649
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90395928

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide?
The IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide (CID 153188718) is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide.
What is the SMILES notation for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide?
The canonical SMILES for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(N(O)O)c2)nc1N.
What is the InChIKey of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide?
The InChIKey is WHPFHVHQWFQUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O3/c1-25-12(8-13(24-25)17(18,19)20)11-5-6-14(22-15(11)21)23-16(27)9-3-2-4-10(7-9)26(28)29/h2-8,28-29H,1H3,(H3,21,22,23,27).
What are the key properties of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide?
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide has a molecular weight of 408.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide is sourced from PubChem (CID 153188718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).