(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

C15H19N5O — CID 50958027

IUPAC(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2cccnc2)Cc2ncc[nH]2)N1
InChIInChI=1S/C15H19N5O/c21-15-4-3-13(19-15)10-20(11-14-17-6-7-18-14)9-12-2-1-5-16-8-12/h1-2,5-8,13H,3-4,9-11H2,(H,17,18)(H,19,21)/t13-/m0/s1
InChIKeyVKFNHAOXRSGHOU-ZDUSSCGKSA-N
MW285.35 g/mol
LogP1.09
Rot. Bonds6

About (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 50958027) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID50958027
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2cccnc2)Cc2ncc[nH]2)N1
InChIInChI=1S/C15H19N5O/c21-15-4-3-13(19-15)10-20(11-14-17-6-7-18-14)9-12-2-1-5-16-8-12/h1-2,5-8,13H,3-4,9-11H2,(H,17,18)(H,19,21)/t13-/m0/s1
InChIKeyVKFNHAOXRSGHOU-ZDUSSCGKSA-N
XLogP1.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one 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

(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50965952
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036
N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
CID 46987735
(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925025
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 118773691
N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide
CID 50965827
N-(3-chloro-4-fluorophenyl)-N'-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 50971008
N-(3-chloro-4-fluorophenyl)-N'-[(5-oxopyrrolidin-2-yl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 75592718
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 50958027) is (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is O=C1CC[C@@H](CN(Cc2cccnc2)Cc2ncc[nH]2)N1.
What is the InChIKey of (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is VKFNHAOXRSGHOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15-4-3-13(19-15)10-20(11-14-17-6-7-18-14)9-12-2-1-5-16-8-12/h1-2,5-8,13H,3-4,9-11H2,(H,17,18)(H,19,21)/t13-/m0/s1.
What are the key properties of (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50958027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).