(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide

C15H19N7O2 — CID 125166963

IUPAC(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)Nc2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H19N7O2/c1-2-16-14(23)11-6-7-21(9-11)15(24)18-12-4-3-5-13(8-12)22-10-17-19-20-22/h3-5,8,10-11H,2,6-7,9H2,1H3,(H,16,23)(H,18,24)/t11-/m0/s1
InChIKeyKSFMCTKVCQTVLN-NSHDSACASA-N
MW329.36 g/mol
LogP0.65
Rot. Bonds4

About (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide

(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 125166963) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
PubChem CID125166963
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)Nc2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H19N7O2/c1-2-16-14(23)11-6-7-21(9-11)15(24)18-12-4-3-5-13(8-12)22-10-17-19-20-22/h3-5,8,10-11H,2,6-7,9H2,1H3,(H,16,23)(H,18,24)/t11-/m0/s1
InChIKeyKSFMCTKVCQTVLN-NSHDSACASA-N
XLogP0.65
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide 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

N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
CID 42214946
1-(5-methyl-1,3-oxazole-4-carbonyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 72868592
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 91765551
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 49117902
4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 114422985

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide (CID 125166963) is (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide is CCNC(=O)[C@H]1CCN(C(=O)Nc2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is KSFMCTKVCQTVLN-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N7O2/c1-2-16-14(23)11-6-7-21(9-11)15(24)18-12-4-3-5-13(8-12)22-10-17-19-20-22/h3-5,8,10-11H,2,6-7,9H2,1H3,(H,16,23)(H,18,24)/t11-/m0/s1.
What are the key properties of (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide?
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 125166963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).