N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H18FN3O3 — CID 97244430

IUPACN-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C18H18FN3O3/c1-10-3-8-13(17(24)20-10)18(25)21-14-9-15(23)22(2)16(14)11-4-6-12(19)7-5-11/h3-8,14,16H,9H2,1-2H3,(H,20,24)(H,21,25)/t14-,16-/m1/s1
InChIKeyQSNRBNREBHWCRR-GDBMZVCRSA-N
MW343.36 g/mol
LogP1.52
Rot. Bonds3

About N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 97244430) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID97244430
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C18H18FN3O3/c1-10-3-8-13(17(24)20-10)18(25)21-14-9-15(23)22(2)16(14)11-4-6-12(19)7-5-11/h3-8,14,16H,9H2,1-2H3,(H,20,24)(H,21,25)/t14-,16-/m1/s1
InChIKeyQSNRBNREBHWCRR-GDBMZVCRSA-N
XLogP1.52
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 97244430) is N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QSNRBNREBHWCRR-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-10-3-8-13(17(24)20-10)18(25)21-14-9-15(23)22(2)16(14)11-4-6-12(19)7-5-11/h3-8,14,16H,9H2,1-2H3,(H,20,24)(H,21,25)/t14-,16-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97244430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).