N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

C19H21ClN4O2 — CID 166306265

IUPACN-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)NCC34CCN(CC3)C4)CC2=O)cc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-8-15(2-1-13(16)9-21)24-10-14(7-17(24)25)18(26)22-11-19-3-5-23(12-19)6-4-19/h1-2,8,14H,3-7,10-12H2,(H,22,26)
InChIKeyCYLXFRMTSPKHGZ-UHFFFAOYSA-N
MW372.86 g/mol
LogP1.78
Rot. Bonds4

About N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 166306265) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID166306265
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)NCC34CCN(CC3)C4)CC2=O)cc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-8-15(2-1-13(16)9-21)24-10-14(7-17(24)25)18(26)22-11-19-3-5-23(12-19)6-4-19/h1-2,8,14H,3-7,10-12H2,(H,22,26)
InChIKeyCYLXFRMTSPKHGZ-UHFFFAOYSA-N
XLogP1.78
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chloro-4-methylphenyl)-N-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9352106
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
(3R)-N-(3-chloro-4-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2559067
2-chloro-4-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]benzonitrile;ethane;methanol
CID 143759878
3-[[(3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9351895
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109483
S-[1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706574
N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306
1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 155525716
(3R)-1-(3-chloro-4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 29094993
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 166306265) is N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1ccc(N2CC(C(=O)NCC34CCN(CC3)C4)CC2=O)cc1Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CYLXFRMTSPKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-16-8-15(2-1-13(16)9-21)24-10-14(7-17(24)25)18(26)22-11-19-3-5-23(12-19)6-4-19/h1-2,8,14H,3-7,10-12H2,(H,22,26).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166306265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).