(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide

C24H25N5O2 — CID 154961395

IUPAC(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
SMILESN#Cc1ccc(CCNC(=O)[C@H]2CNC[C@@H]2C(=O)NCCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H25N5O2/c25-13-19-5-1-17(2-6-19)9-11-28-23(30)21-15-27-16-22(21)24(31)29-12-10-18-3-7-20(14-26)8-4-18/h1-8,21-22,27H,9-12,15-16H2,(H,28,30)(H,29,31)/t21-,22-/m0/s1
InChIKeyDGLJOIGIDDRWAZ-VXKWHMMOSA-N
MW415.50 g/mol
LogP1.28
Rot. Bonds8

About (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide

(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 154961395) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
PubChem CID154961395
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
SMILESN#Cc1ccc(CCNC(=O)[C@H]2CNC[C@@H]2C(=O)NCCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H25N5O2/c25-13-19-5-1-17(2-6-19)9-11-28-23(30)21-15-27-16-22(21)24(31)29-12-10-18-3-7-20(14-26)8-4-18/h1-8,21-22,27H,9-12,15-16H2,(H,28,30)(H,29,31)/t21-,22-/m0/s1
InChIKeyDGLJOIGIDDRWAZ-VXKWHMMOSA-N
XLogP1.28
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 175163144
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63715120
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
CID 158144614
4-N-(4-cyanophenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149126
3-[2-(4-cyanophenyl)ethylamino]-3-oxopropanoic acid
CID 19926322
N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
(3S,4S)-4-[4-(4-methoxyphenyl)butanoyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 160762514

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide (CID 154961395) is (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide is N#Cc1ccc(CCNC(=O)[C@H]2CNC[C@@H]2C(=O)NCCc2ccc(C#N)cc2)cc1.
What is the InChIKey of (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is DGLJOIGIDDRWAZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-13-19-5-1-17(2-6-19)9-11-28-23(30)21-15-27-16-22(21)24(31)29-12-10-18-3-7-20(14-26)8-4-18/h1-8,21-22,27H,9-12,15-16H2,(H,28,30)(H,29,31)/t21-,22-/m0/s1.
What are the key properties of (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 415.50 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 154961395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).