N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide

C24H33N3O3 — CID 42436493

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O
InChIInChI=1S/C24H33N3O3/c1-5-26-13-8-10-20(26)16-25-24(29)23-18(3)27(17(2)15-21(23)28)14-12-19-9-6-7-11-22(19)30-4/h6-7,9,11,15,20H,5,8,10,12-14,16H2,1-4H3,(H,25,29)/t20-/m1/s1
InChIKeyCHFFXVJTLRKICA-HXUWFJFHSA-N
MW411.55 g/mol
LogP2.93
Rot. Bonds8

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 42436493) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID42436493
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O
InChIInChI=1S/C24H33N3O3/c1-5-26-13-8-10-20(26)16-25-24(29)23-18(3)27(17(2)15-21(23)28)14-12-19-9-6-7-11-22(19)30-4/h6-7,9,11,15,20H,5,8,10,12-14,16H2,1-4H3,(H,25,29)/t20-/m1/s1
InChIKeyCHFFXVJTLRKICA-HXUWFJFHSA-N
XLogP2.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 42436493) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is CHFFXVJTLRKICA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-26-13-8-10-20(26)16-25-24(29)23-18(3)27(17(2)15-21(23)28)14-12-19-9-6-7-11-22(19)30-4/h6-7,9,11,15,20H,5,8,10,12-14,16H2,1-4H3,(H,25,29)/t20-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 42436493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).