N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide

C14H11F2N3O2 — CID 7585101

IUPACN'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H11F2N3O2/c15-10-3-4-11(16)12(6-10)19-14(21)13(20)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyKBFRWKKTGULWJL-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.61
Rot. Bonds3

About N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide

N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 7585101) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID7585101
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC NameN'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H11F2N3O2/c15-10-3-4-11(16)12(6-10)19-14(21)13(20)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyKBFRWKKTGULWJL-UHFFFAOYSA-N
XLogP1.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.61
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

Amrinone
CID 3698
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
N-(pyridin-3-ylmethyl)aniline
CID 1082702
N-(4-Fluorophenyl)-3-pyridinemethanamine
CID 645683
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
n-(2-Fluorophenyl)nicotinamide
CID 279880
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
(2E)-3-phenyl-N-(pyridin-3-yl)prop-2-enamide
CID 825474

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide (CID 7585101) is N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is KBFRWKKTGULWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c15-10-3-4-11(16)12(6-10)19-14(21)13(20)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 291.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 7585101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).