N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide

C18H26N6O — CID 125156142

IUPACN-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESCc1ccccc1CN1CC[C@@H](CNC(=O)CCCn2cnnn2)C1
InChIInChI=1S/C18H26N6O/c1-15-5-2-3-6-17(15)13-23-10-8-16(12-23)11-19-18(25)7-4-9-24-14-20-21-22-24/h2-3,5-6,14,16H,4,7-13H2,1H3,(H,19,25)/t16-/m0/s1
InChIKeyJCILFQYPJARFNL-INIZCTEOSA-N
MW342.45 g/mol
LogP1.40
Rot. Bonds8

About N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide

N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 125156142) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
PubChem CID125156142
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESCc1ccccc1CN1CC[C@@H](CNC(=O)CCCn2cnnn2)C1
InChIInChI=1S/C18H26N6O/c1-15-5-2-3-6-17(15)13-23-10-8-16(12-23)11-19-18(25)7-4-9-24-14-20-21-22-24/h2-3,5-6,14,16H,4,7-13H2,1H3,(H,19,25)/t16-/m0/s1
InChIKeyJCILFQYPJARFNL-INIZCTEOSA-N
XLogP1.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide 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

3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 131903613
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 125168955
N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
CID 125180086
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
CID 118791343
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70767251
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95199376
N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 126424203
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(tetrazol-1-yl)butanamide
CID 118785590
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 125165762
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide (CID 125156142) is N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide is Cc1ccccc1CN1CC[C@@H](CNC(=O)CCCn2cnnn2)C1.
What is the InChIKey of N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is JCILFQYPJARFNL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-5-2-3-6-17(15)13-23-10-8-16(12-23)11-19-18(25)7-4-9-24-14-20-21-22-24/h2-3,5-6,14,16H,4,7-13H2,1H3,(H,19,25)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide?
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 342.45 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 125156142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).