N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide

C19H26N4O2 — CID 173253443

IUPACN'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)N(Cc1ccccc1)C1(C#N)CCNC1)C(N)=O
InChIInChI=1S/C19H26N4O2/c1-18(2,17(21)25)9-8-16(24)23(12-15-6-4-3-5-7-15)19(13-20)10-11-22-14-19/h3-7,22H,8-12,14H2,1-2H3,(H2,21,25)
InChIKeyYVRGCHRPCAUVQM-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.56
Rot. Bonds7

About N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide

N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide (PubChem CID 173253443) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide
PubChem CID173253443
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)N(Cc1ccccc1)C1(C#N)CCNC1)C(N)=O
InChIInChI=1S/C19H26N4O2/c1-18(2,17(21)25)9-8-16(24)23(12-15-6-4-3-5-7-15)19(13-20)10-11-22-14-19/h3-7,22H,8-12,14H2,1-2H3,(H2,21,25)
InChIKeyYVRGCHRPCAUVQM-UHFFFAOYSA-N
XLogP1.56
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide?
The IUPAC name of N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide (CID 173253443) is N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide.
What is the SMILES notation for N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide?
The canonical SMILES for N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide is CC(C)(CCC(=O)N(Cc1ccccc1)C1(C#N)CCNC1)C(N)=O.
What is the InChIKey of N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide?
The InChIKey is YVRGCHRPCAUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-18(2,17(21)25)9-8-16(24)23(12-15-6-4-3-5-7-15)19(13-20)10-11-22-14-19/h3-7,22H,8-12,14H2,1-2H3,(H2,21,25).
What are the key properties of N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide?
N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide has a molecular weight of 342.44 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide is sourced from PubChem (CID 173253443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).