3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

C22H25N3O — CID 162671030

IUPAC3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccccc1-c1cc(C#N)cc(C(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C22H25N3O/c1-17-7-2-3-8-21(17)19-13-18(16-23)14-20(15-19)22(26)24-9-6-12-25-10-4-5-11-25/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,24,26)
InChIKeyCUAKSMKBBGPHOF-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.75
Rot. Bonds6

About 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 162671030) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID162671030
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccccc1-c1cc(C#N)cc(C(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C22H25N3O/c1-17-7-2-3-8-21(17)19-13-18(16-23)14-20(15-19)22(26)24-9-6-12-25-10-4-5-11-25/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,24,26)
InChIKeyCUAKSMKBBGPHOF-UHFFFAOYSA-N
XLogP3.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
Teijin-lead_cmp_5
CID 44353447
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzonitrile
CID 25218017
2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)isoindoline-4-carboxamide
CID 20855922
N-(2-Methyl-benzyl)-benzamide
CID 789725
2-methyl-N-(2-methylbenzyl)benzamide
CID 881366
4-isopropyl-N-(3-phenylpropyl)benzamide
CID 2169905
2-methyl-N-(3-phenylpropyl)benzamide
CID 2186870

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 162671030) is 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is Cc1ccccc1-c1cc(C#N)cc(C(=O)NCCCN2CCCC2)c1.
What is the InChIKey of 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is CUAKSMKBBGPHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-7-2-3-8-21(17)19-13-18(16-23)14-20(15-19)22(26)24-9-6-12-25-10-4-5-11-25/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,24,26).
What are the key properties of 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 162671030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).