N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide

C16H21N3O — CID 106974506

IUPACN-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(C#N)c2)CCCN1
InChIInChI=1S/C16H21N3O/c1-2-7-16(8-4-9-19-16)15(20)18-12-14-6-3-5-13(10-14)11-17/h3,5-6,10,19H,2,4,7-9,12H2,1H3,(H,18,20)
InChIKeyZSZJJUBTJBIDKB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.10
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide

N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974506) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974506
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(C#N)c2)CCCN1
InChIInChI=1S/C16H21N3O/c1-2-7-16(8-4-9-19-16)15(20)18-12-14-6-3-5-13(10-14)11-17/h3,5-6,10,19H,2,4,7-9,12H2,1H3,(H,18,20)
InChIKeyZSZJJUBTJBIDKB-UHFFFAOYSA-N
XLogP2.10
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808
N-(2-hydroxy-2-phenylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974225
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974307
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide (CID 106974506) is N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCc2cccc(C#N)c2)CCCN1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is ZSZJJUBTJBIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-7-16(8-4-9-19-16)15(20)18-12-14-6-3-5-13(10-14)11-17/h3,5-6,10,19H,2,4,7-9,12H2,1H3,(H,18,20).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).