4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide

C18H20N4O2 — CID 97220649

IUPAC4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)NC[C@H](c2cccc(O)c2)N2CCCC2)c1
InChIInChI=1S/C18H20N4O2/c19-10-13-8-16(20-11-13)18(24)21-12-17(22-6-1-2-7-22)14-4-3-5-15(23)9-14/h3-5,8-9,11,17,20,23H,1-2,6-7,12H2,(H,21,24)/t17-/m1/s1
InChIKeyNSSYDJFIOOIKLH-QGZVFWFLSA-N
MW324.38 g/mol
LogP2.16
Rot. Bonds5

About 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 97220649) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
PubChem CID97220649
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)NC[C@H](c2cccc(O)c2)N2CCCC2)c1
InChIInChI=1S/C18H20N4O2/c19-10-13-8-16(20-11-13)18(24)21-12-17(22-6-1-2-7-22)14-4-3-5-15(23)9-14/h3-5,8-9,11,17,20,23H,1-2,6-7,12H2,(H,21,24)/t17-/m1/s1
InChIKeyNSSYDJFIOOIKLH-QGZVFWFLSA-N
XLogP2.16
TPSA92.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide 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

4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 126448553
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea
CID 75423415
N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide
CID 166360813
4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 24544227
N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131895345
1-(3-amino-4-phenylbutyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 155969371
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146032
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146031
3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 134024332

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide (CID 97220649) is 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide is N#Cc1c[nH]c(C(=O)NC[C@H](c2cccc(O)c2)N2CCCC2)c1.
What is the InChIKey of 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NSSYDJFIOOIKLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-10-13-8-16(20-11-13)18(24)21-12-17(22-6-1-2-7-22)14-4-3-5-15(23)9-14/h3-5,8-9,11,17,20,23H,1-2,6-7,12H2,(H,21,24)/t17-/m1/s1.
What are the key properties of 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97220649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).