N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

C19H22FN3O2 — CID 71893522

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCCC2c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O2/c1-12-10-13(2)22-18(24)16(12)11-21-19(25)23-9-3-4-17(23)14-5-7-15(20)8-6-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVOKWQQQEIQSFPP-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.18
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 71893522) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID71893522
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCCC2c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O2/c1-12-10-13(2)22-18(24)16(12)11-21-19(25)23-9-3-4-17(23)14-5-7-15(20)8-6-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVOKWQQQEIQSFPP-UHFFFAOYSA-N
XLogP3.18
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 71893522) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide is Cc1cc(C)c(CNC(=O)N2CCCC2c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is VOKWQQQEIQSFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-10-13(2)22-18(24)16(12)11-21-19(25)23-9-3-4-17(23)14-5-7-15(20)8-6-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71893522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).