formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate

C25H33N3O6 — CID 172910035

IUPACformic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](CNC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)N1C.O=CO
InChIInChI=1S/C24H31N3O4.CH2O2/c1-17-11-13-27(14-12-18-7-5-4-6-8-18)24(30)22(17)23(29)25-16-20-10-9-19(26(20)2)15-21(28)31-3;2-1-3/h4-8,11,13,19-20H,9-10,12,14-16H2,1-3H3,(H,25,29);1H,(H,2,3)/t19-,20+;/m1./s1
InChIKeyBURBDWGYBQZMCU-FDOHDBATSA-N
MW471.55 g/mol
LogP1.86
Rot. Bonds8

About formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate

formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate (PubChem CID 172910035) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameformic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate
PubChem CID172910035
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Nameformic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](CNC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)N1C.O=CO
InChIInChI=1S/C24H31N3O4.CH2O2/c1-17-11-13-27(14-12-18-7-5-4-6-8-18)24(30)22(17)23(29)25-16-20-10-9-19(26(20)2)15-21(28)31-3;2-1-3/h4-8,11,13,19-20H,9-10,12,14-16H2,1-3H3,(H,25,29);1H,(H,2,3)/t19-,20+;/m1./s1
InChIKeyBURBDWGYBQZMCU-FDOHDBATSA-N
XLogP1.86
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172655551
4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665741
4-methyl-2-oxo-N-(2-oxooxolan-3-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665459
formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate
CID 171712825
methyl 2-[(2R,5S)-5-[[[2-(2-fluorophenyl)benzoyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 165421380
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
formic acid;methyl 2-[(2R,5S)-5-[[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 171707065
methyl 2-[3-methyl-4-[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]-2-oxopiperazin-1-yl]acetate
CID 172658094
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 172661146
methyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]amino]acetate
CID 172669782
N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
CID 172912279
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157

Frequently Asked Questions

What is the IUPAC name of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate?
The IUPAC name of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate (CID 172910035) is formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate is COC(=O)C[C@H]1CC[C@@H](CNC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)N1C.O=CO.
What is the InChIKey of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate?
The InChIKey is BURBDWGYBQZMCU-FDOHDBATSA-N. The full InChI is InChI=1S/C24H31N3O4.CH2O2/c1-17-11-13-27(14-12-18-7-5-4-6-8-18)24(30)22(17)23(29)25-16-20-10-9-19(26(20)2)15-21(28)31-3;2-1-3/h4-8,11,13,19-20H,9-10,12,14-16H2,1-3H3,(H,25,29);1H,(H,2,3)/t19-,20+;/m1./s1.
What are the key properties of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate?
formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate has a molecular weight of 471.55 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 172910035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).