N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide

C16H11F6N3O2 — CID 108530336

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F6N3O2/c1-8-2-3-23-12(4-8)25-14(27)13(26)24-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,1H3,(H,24,26)(H,23,25,27)
InChIKeyIKMFTWDWSGMZGF-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.00
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide

N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide (PubChem CID 108530336) has the molecular formula C16H11F6N3O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
PubChem CID108530336
Molecular FormulaC16H11F6N3O2
Molecular Weight391.27 g/mol
Exact Mass391.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F6N3O2/c1-8-2-3-23-12(4-8)25-14(27)13(26)24-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,1H3,(H,24,26)(H,23,25,27)
InChIKeyIKMFTWDWSGMZGF-UHFFFAOYSA-N
XLogP4.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.00
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

2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
N-(4-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530485
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122314643
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
CID 100722444
N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530624
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108512860

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide (CID 108530336) is N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide is Cc1ccnc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is IKMFTWDWSGMZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2/c1-8-2-3-23-12(4-8)25-14(27)13(26)24-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,1H3,(H,24,26)(H,23,25,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 391.27 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108530336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).