N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide

C19H20N4OS — CID 75598475

IUPACN-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide
SMILESN#Cc1cc(-c2ccsc2)ccc1N1CCC(NC(=O)C2CCN2)C1
InChIInChI=1S/C19H20N4OS/c20-10-15-9-13(14-5-8-25-12-14)1-2-18(15)23-7-4-16(11-23)22-19(24)17-3-6-21-17/h1-2,5,8-9,12,16-17,21H,3-4,6-7,11H2,(H,22,24)
InChIKeyWLSLQQIJKGZCCH-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.34
Rot. Bonds4

About N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide

N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide (PubChem CID 75598475) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide
PubChem CID75598475
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide
SMILESN#Cc1cc(-c2ccsc2)ccc1N1CCC(NC(=O)C2CCN2)C1
InChIInChI=1S/C19H20N4OS/c20-10-15-9-13(14-5-8-25-12-14)1-2-18(15)23-7-4-16(11-23)22-19(24)17-3-6-21-17/h1-2,5,8-9,12,16-17,21H,3-4,6-7,11H2,(H,22,24)
InChIKeyWLSLQQIJKGZCCH-UHFFFAOYSA-N
XLogP2.34
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 77496241
N-[1-(4-bromo-2-cyanophenyl)pyrrolidin-3-yl]azetidine-2-carboxamide
CID 75598412
N-[1-[2-cyano-4-(4-fluorophenyl)phenyl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 77219462
CID 88967564
CID 88967564
(2S)-N-[1-[2-cyano-4-(4-fluorophenyl)phenyl]pyrrolidin-3-yl]-4-fluoropyrrolidine-2-carboxamide
CID 67060649
tert-butyl N-[1-[2-cyano-4-(4-fluorophenyl)phenyl]pyrrolidin-3-yl]carbamate
CID 77496326
N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
(2S)-2-[[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]amino]-3-thiophen-3-ylpropanamide
CID 67060644
(2S)-2-[[(3S)-1-(4-bromo-2-cyanophenyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 154461815
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405
2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide
CID 75597941
tert-butyl N-[1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]carbamate
CID 77496342

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide?
The IUPAC name of N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide (CID 75598475) is N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide?
The canonical SMILES for N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide is N#Cc1cc(-c2ccsc2)ccc1N1CCC(NC(=O)C2CCN2)C1.
What is the InChIKey of N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide?
The InChIKey is WLSLQQIJKGZCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-10-15-9-13(14-5-8-25-12-14)1-2-18(15)23-7-4-16(11-23)22-19(24)17-3-6-21-17/h1-2,5,8-9,12,16-17,21H,3-4,6-7,11H2,(H,22,24).
What are the key properties of N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide?
N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-4-thiophen-3-ylphenyl)pyrrolidin-3-yl]azetidine-2-carboxamide is sourced from PubChem (CID 75598475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).