N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide

C16H14F3N3O2 — CID 86805127

IUPACN-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
SMILESO=C(Nc1cccnc1)C(=O)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)7-6-11-3-1-4-12(9-11)21-14(23)15(24)22-13-5-2-8-20-10-13/h1-5,8-10H,6-7H2,(H,21,23)(H,22,24)
InChIKeyLEEGAANXLGUHDG-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.15
Rot. Bonds4

About N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide

N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide (PubChem CID 86805127) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
PubChem CID86805127
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
SMILESO=C(Nc1cccnc1)C(=O)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)7-6-11-3-1-4-12(9-11)21-14(23)15(24)22-13-5-2-8-20-10-13/h1-5,8-10H,6-7H2,(H,21,23)(H,22,24)
InChIKeyLEEGAANXLGUHDG-UHFFFAOYSA-N
XLogP3.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 119343965
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
CID 119343981
2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 120669180
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638651
1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
CID 146087942
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide?
The IUPAC name of N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide (CID 86805127) is N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide.
What is the SMILES notation for N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide?
The canonical SMILES for N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide is O=C(Nc1cccnc1)C(=O)Nc1cccc(CCC(F)(F)F)c1.
What is the InChIKey of N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide?
The InChIKey is LEEGAANXLGUHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)7-6-11-3-1-4-12(9-11)21-14(23)15(24)22-13-5-2-8-20-10-13/h1-5,8-10H,6-7H2,(H,21,23)(H,22,24).
What are the key properties of N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide?
N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide has a molecular weight of 337.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide is sourced from PubChem (CID 86805127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).