N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

C18H25N5O — CID 95204127

IUPACN-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(CN2CC[C@@H](CNC(=O)Cn3cncn3)C2)c(C)c1
InChIInChI=1S/C18H25N5O/c1-14-3-4-17(15(2)7-14)10-22-6-5-16(9-22)8-20-18(24)11-23-13-19-12-21-23/h3-4,7,12-13,16H,5-6,8-11H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyKEWBYAUZOHFTJG-INIZCTEOSA-N
MW327.43 g/mol
LogP1.53
Rot. Bonds6

About N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 95204127) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID95204127
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(CN2CC[C@@H](CNC(=O)Cn3cncn3)C2)c(C)c1
InChIInChI=1S/C18H25N5O/c1-14-3-4-17(15(2)7-14)10-22-6-5-16(9-22)8-20-18(24)11-23-13-19-12-21-23/h3-4,7,12-13,16H,5-6,8-11H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyKEWBYAUZOHFTJG-INIZCTEOSA-N
XLogP1.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide 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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 125168955
[1-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 56707020
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92578515
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
CID 56707945
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
1-[(2,4-dimethylphenyl)methyl]-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 111938321
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 125156142
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 95204337
N-[(2,4-dimethylphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60855303
3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 65072325

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 95204127) is N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1ccc(CN2CC[C@@H](CNC(=O)Cn3cncn3)C2)c(C)c1.
What is the InChIKey of N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is KEWBYAUZOHFTJG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-3-4-17(15(2)7-14)10-22-6-5-16(9-22)8-20-18(24)11-23-13-19-12-21-23/h3-4,7,12-13,16H,5-6,8-11H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 95204127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).