1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one

C26H31N5O2 — CID 71252643

IUPAC1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one
SMILESCc1nc(N2CCCC2=O)ccc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1
InChIInChI=1S/C26H31N5O2/c1-17-21(8-9-23(28-17)31-10-2-3-24(31)32)26(33)30-13-11-29(12-14-30)25-22(19-6-7-19)15-20(16-27-25)18-4-5-18/h8-9,15-16,18-19H,2-7,10-14H2,1H3
InChIKeyYCTNVVXYHSXBEW-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.63
Rot. Bonds5

About 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one

1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one (PubChem CID 71252643) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one
PubChem CID71252643
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one
SMILESCc1nc(N2CCCC2=O)ccc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1
InChIInChI=1S/C26H31N5O2/c1-17-21(8-9-23(28-17)31-10-2-3-24(31)32)26(33)30-13-11-29(12-14-30)25-22(19-6-7-19)15-20(16-27-25)18-4-5-18/h8-9,15-16,18-19H,2-7,10-14H2,1H3
InChIKeyYCTNVVXYHSXBEW-UHFFFAOYSA-N
XLogP3.63
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one
CID 71252584
3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58484810
(5S)-1-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 71252866
[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone
CID 71251880
ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate
CID 71253045
(3R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370680
3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;methoxyethane
CID 143982799
(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494582
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(piperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252878
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one
CID 58484534
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;methane
CID 159671432
(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one
CID 67381179

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one (CID 71252643) is 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one is Cc1nc(N2CCCC2=O)ccc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1.
What is the InChIKey of 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is YCTNVVXYHSXBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-17-21(8-9-23(28-17)31-10-2-3-24(31)32)26(33)30-13-11-29(12-14-30)25-22(19-6-7-19)15-20(16-27-25)18-4-5-18/h8-9,15-16,18-19H,2-7,10-14H2,1H3.
What are the key properties of 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one?
1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 445.57 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 71252643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).