N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide

C25H29N3O3 — CID 126465098

IUPACN-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)CC1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)C1CCCCC1
InChIInChI=1S/C25H29N3O3/c1-27(21-10-6-3-7-11-21)22(29)16-25(20-8-4-2-5-9-20)17-23(30)28(24(25)31)18-19-12-14-26-15-13-19/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-18H2,1H3
InChIKeyJPPAMKKDTBKCMY-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.46
Rot. Bonds6

About N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide

N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 126465098) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID126465098
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)CC1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)C1CCCCC1
InChIInChI=1S/C25H29N3O3/c1-27(21-10-6-3-7-11-21)22(29)16-25(20-8-4-2-5-9-20)17-23(30)28(24(25)31)18-19-12-14-26-15-13-19/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-18H2,1H3
InChIKeyJPPAMKKDTBKCMY-UHFFFAOYSA-N
XLogP3.46
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Cotinine
CID 854019
Disopyramide
CID 3114
(+-)-Cotinine
CID 408
Linopirdine
CID 3932
Vamicamide
CID 65967
cotinine N-oxide
CID 9815514
Disopyramide, (R)-
CID 156294
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 139953895
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
C3A receptor agonist
CID 44430519
R-(+)-Cotinine
CID 21907
Disopyramide, (S)-
CID 156295

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide (CID 126465098) is N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide is CN(C(=O)CC1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is JPPAMKKDTBKCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-27(21-10-6-3-7-11-21)22(29)16-25(20-8-4-2-5-9-20)17-23(30)28(24(25)31)18-19-12-14-26-15-13-19/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-18H2,1H3.
What are the key properties of N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide?
N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 419.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 126465098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).