N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide

C16H14F3N3O3 — CID 166995065

IUPACN-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CCc1cccnc1NC(=O)c1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)12-5-1-3-11(9-12)15(24)21-14-10(4-2-8-20-14)6-7-13(23)22-25/h1-5,8-9,25H,6-7H2,(H,22,23)(H,20,21,24)
InChIKeyYMANCOONWHWQAG-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.79
Rot. Bonds5

About N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide

N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 166995065) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID166995065
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CCc1cccnc1NC(=O)c1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)12-5-1-3-11(9-12)15(24)21-14-10(4-2-8-20-14)6-7-13(23)22-25/h1-5,8-9,25H,6-7H2,(H,22,23)(H,20,21,24)
InChIKeyYMANCOONWHWQAG-UHFFFAOYSA-N
XLogP2.79
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide (CID 166995065) is N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide is O=C(CCc1cccnc1NC(=O)c1cccc(C(F)(F)F)c1)NO.
What is the InChIKey of N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YMANCOONWHWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)12-5-1-3-11(9-12)15(24)21-14-10(4-2-8-20-14)6-7-13(23)22-25/h1-5,8-9,25H,6-7H2,(H,22,23)(H,20,21,24).
What are the key properties of N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 353.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 166995065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).