1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide

C22H22FN3O4 — CID 172665608

IUPAC1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)on1
InChIInChI=1S/C22H22FN3O4/c1-13-7-8-26(17-5-3-16(23)4-6-17)22(28)20(13)21(27)24-19-12-29-11-15(19)10-18-9-14(2)25-30-18/h3-9,15,19H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
InChIKeySHNCRUXGOOGTIU-BEFAXECRSA-N
MW411.43 g/mol
LogP2.57
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide (PubChem CID 172665608) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide
PubChem CID172665608
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)on1
InChIInChI=1S/C22H22FN3O4/c1-13-7-8-26(17-5-3-16(23)4-6-17)22(28)20(13)21(27)24-19-12-29-11-15(19)10-18-9-14(2)25-30-18/h3-9,15,19H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
InChIKeySHNCRUXGOOGTIU-BEFAXECRSA-N
XLogP2.57
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide (CID 172665608) is 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)on1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is SHNCRUXGOOGTIU-BEFAXECRSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-13-7-8-26(17-5-3-16(23)4-6-17)22(28)20(13)21(27)24-19-12-29-11-15(19)10-18-9-14(2)25-30-18/h3-9,15,19H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172665608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).