N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide

C16H16FN3O2 — CID 95187916

IUPACN-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H16FN3O2/c1-11(12-6-8-18-9-7-12)20(2)16(22)15(21)19-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyAVYKGZAWEGSTOU-NSHDSACASA-N
MW301.32 g/mol
LogP2.38
Rot. Bonds3

About N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide

N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide (PubChem CID 95187916) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide
PubChem CID95187916
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H16FN3O2/c1-11(12-6-8-18-9-7-12)20(2)16(22)15(21)19-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyAVYKGZAWEGSTOU-NSHDSACASA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide
CID 86995587
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
1-methyl-3-[3-(pyridin-3-ylamino)propyl]-1-(1-pyridin-4-ylethyl)urea
CID 122569143

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide?
The IUPAC name of N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide (CID 95187916) is N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide is C[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide?
The InChIKey is AVYKGZAWEGSTOU-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11(12-6-8-18-9-7-12)20(2)16(22)15(21)19-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide?
N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide has a molecular weight of 301.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-methyl-N'-[(1S)-1-pyridin-4-ylethyl]oxamide is sourced from PubChem (CID 95187916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).