N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide

C17H16FN3O3 — CID 110367334

IUPACN-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CN(c2ccc(F)cc2)C(=O)CO1)c1ccncc1
InChIInChI=1S/C17H16FN3O3/c18-13-1-3-14(4-2-13)21-10-15(24-11-16(21)22)9-20-17(23)12-5-7-19-8-6-12/h1-8,15H,9-11H2,(H,20,23)
InChIKeyCWHLZGKZWCGXQR-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.38
Rot. Bonds4

About N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide

N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 110367334) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide
PubChem CID110367334
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CN(c2ccc(F)cc2)C(=O)CO1)c1ccncc1
InChIInChI=1S/C17H16FN3O3/c18-13-1-3-14(4-2-13)21-10-15(24-11-16(21)22)9-20-17(23)12-5-7-19-8-6-12/h1-8,15H,9-11H2,(H,20,23)
InChIKeyCWHLZGKZWCGXQR-UHFFFAOYSA-N
XLogP1.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
CID 110367409
4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 21027199
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide (CID 110367334) is N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide is O=C(NCC1CN(c2ccc(F)cc2)C(=O)CO1)c1ccncc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is CWHLZGKZWCGXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-13-1-3-14(4-2-13)21-10-15(24-11-16(21)22)9-20-17(23)12-5-7-19-8-6-12/h1-8,15H,9-11H2,(H,20,23).
What are the key properties of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide?
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110367334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).