(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one

C17H23N5O2 — CID 95601738

IUPAC(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C17H23N5O2/c23-16-10-12(11-22(16)14-3-4-14)17(24)21-8-5-13(6-9-21)19-15-2-1-7-18-20-15/h1-2,7,12-14H,3-6,8-11H2,(H,19,20)/t12-/m0/s1
InChIKeyLHUKUKNBWUYODE-LBPRGKRZSA-N
MW329.40 g/mol
LogP0.89
Rot. Bonds4

About (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95601738) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95601738
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C17H23N5O2/c23-16-10-12(11-22(16)14-3-4-14)17(24)21-8-5-13(6-9-21)19-15-2-1-7-18-20-15/h1-2,7,12-14H,3-6,8-11H2,(H,19,20)/t12-/m0/s1
InChIKeyLHUKUKNBWUYODE-LBPRGKRZSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95312317
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
(4S)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 94178191
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139
(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
CID 120954788
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide
CID 95601751
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95601738) is (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one is O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is LHUKUKNBWUYODE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-16-10-12(11-22(16)14-3-4-14)17(24)21-8-5-13(6-9-21)19-15-2-1-7-18-20-15/h1-2,7,12-14H,3-6,8-11H2,(H,19,20)/t12-/m0/s1.
What are the key properties of (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95601738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).