N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide

C17H23N3O — CID 106612332

IUPACN-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-2-3-11-20(13-16-5-4-10-19-16)17(21)15-8-6-14(12-18)7-9-15/h6-9,16,19H,2-5,10-11,13H2,1H3
InChIKeyHMYVUWRXRLWAJM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.55
Rot. Bonds6

About N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide

N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612332) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612332
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-2-3-11-20(13-16-5-4-10-19-16)17(21)15-8-6-14(12-18)7-9-15/h6-9,16,19H,2-5,10-11,13H2,1H3
InChIKeyHMYVUWRXRLWAJM-UHFFFAOYSA-N
XLogP2.55
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
N-butyl-2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 106611964
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612332) is N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is HMYVUWRXRLWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-11-20(13-16-5-4-10-19-16)17(21)15-8-6-14(12-18)7-9-15/h6-9,16,19H,2-5,10-11,13H2,1H3.
What are the key properties of N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).