N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide

C25H32N4O — CID 167747025

IUPACN-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C25H32N4O/c30-25(20-9-7-10-21(19-20)27-13-1-2-14-27)26-24-22(28-15-3-4-16-28)11-8-12-23(24)29-17-5-6-18-29/h7-12,19H,1-6,13-18H2,(H,26,30)
InChIKeyBZBIGZAECWDLSE-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.74
Rot. Bonds5

About N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide

N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide (PubChem CID 167747025) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
PubChem CID167747025
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C25H32N4O/c30-25(20-9-7-10-21(19-20)27-13-1-2-14-27)26-24-22(28-15-3-4-16-28)11-8-12-23(24)29-17-5-6-18-29/h7-12,19H,1-6,13-18H2,(H,26,30)
InChIKeyBZBIGZAECWDLSE-UHFFFAOYSA-N
XLogP4.74
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
CID 168515887
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278
N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 22291087
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide
CID 91642582
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
CID 122135434
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 99086144

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide (CID 167747025) is N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide is O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide?
The InChIKey is BZBIGZAECWDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c30-25(20-9-7-10-21(19-20)27-13-1-2-14-27)26-24-22(28-15-3-4-16-28)11-8-12-23(24)29-17-5-6-18-29/h7-12,19H,1-6,13-18H2,(H,26,30).
What are the key properties of N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide?
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide has a molecular weight of 404.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 167747025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).