N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C16H21N3O2 — CID 106981241

IUPACN-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C16H21N3O2/c1-11(2)16(6-7-18-10-16)15(20)19-13-5-4-12(9-17)8-14(13)21-3/h4-5,8,11,18H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyWJEVRCHWIMICRO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.14
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981241) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981241
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C16H21N3O2/c1-11(2)16(6-7-18-10-16)15(20)19-13-5-4-12(9-17)8-14(13)21-3/h4-5,8,11,18H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyWJEVRCHWIMICRO-UHFFFAOYSA-N
XLogP2.14
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-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

1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
2-(azetidin-3-ylidene)-N-(4-cyano-2-methoxyphenyl)propanamide
CID 116678968
1-[(4-cyano-2-methoxyphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 104849714
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981241) is N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is COc1cc(C#N)ccc1NC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is WJEVRCHWIMICRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)16(6-7-18-10-16)15(20)19-13-5-4-12(9-17)8-14(13)21-3/h4-5,8,11,18H,6-7,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).