2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide

C25H30FN5O4 — CID 26360588

IUPAC2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide
SMILESCc1nonc1CNC(=O)c1c(Cc2cccc(F)c2)n(CCCN2CCOCC2)c(C)cc1=O
InChIInChI=1S/C25H30FN5O4/c1-17-13-23(32)24(25(33)27-16-21-18(2)28-35-29-21)22(15-19-5-3-6-20(26)14-19)31(17)8-4-7-30-9-11-34-12-10-30/h3,5-6,13-14H,4,7-12,15-16H2,1-2H3,(H,27,33)
InChIKeyWIBBSNQUYHCCQR-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.23
Rot. Bonds9

About 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide

2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide (PubChem CID 26360588) has the molecular formula C25H30FN5O4 and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide
PubChem CID26360588
Molecular FormulaC25H30FN5O4
Molecular Weight483.54 g/mol
Exact Mass483.23
IUPAC Name2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide
SMILESCc1nonc1CNC(=O)c1c(Cc2cccc(F)c2)n(CCCN2CCOCC2)c(C)cc1=O
InChIInChI=1S/C25H30FN5O4/c1-17-13-23(32)24(25(33)27-16-21-18(2)28-35-29-21)22(15-19-5-3-6-20(26)14-19)31(17)8-4-7-30-9-11-34-12-10-30/h3,5-6,13-14H,4,7-12,15-16H2,1-2H3,(H,27,33)
InChIKeyWIBBSNQUYHCCQR-UHFFFAOYSA-N
XLogP2.23
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxopyridine-3-carboxamide
CID 92635555
4-N-[(4-fluorophenyl)methyl]-5-hydroxy-2-N-methyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1H-pyridine-2,4-dicarboxamide
CID 54683909
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
CID 25448058
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
CID 25448066
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-4-methyl-N-(tetrahydro-2-furanylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45222472
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 91834572
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124852349
N-[(2S)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124852350
4-amino-N-[(2-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 168043676
2-(methoxymethyl)-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1-naphthylmethyl)-4-oxo-1,4-dihydro-3-pyridinecarboxamide
CID 26358138
1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)-1,4-dihydro-3-pyridinecarboxamide
CID 42405987
N-{2-[(4-ethylbenzyl)(2-methoxyethyl)amino]-2-oxoethyl}-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 46986951

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide (CID 26360588) is 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide is Cc1nonc1CNC(=O)c1c(Cc2cccc(F)c2)n(CCCN2CCOCC2)c(C)cc1=O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide?
The InChIKey is WIBBSNQUYHCCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O4/c1-17-13-23(32)24(25(33)27-16-21-18(2)28-35-29-21)22(15-19-5-3-6-20(26)14-19)31(17)8-4-7-30-9-11-34-12-10-30/h3,5-6,13-14H,4,7-12,15-16H2,1-2H3,(H,27,33).
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide?
2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26360588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).