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(2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide

C16H25N5O3 — CID 94541706

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1
InChIInChI=1S/C16H25N5O3/c1-11(15(23)17-12-3-4-12)20-7-9-21(10-8-20)16(24)13-5-6-14(22)19(2)18-13/h11-12H,3-10H2,1-2H3,(H,17,23)/t11-/m1/s1
InChIKeyFYUFPPMEKIDMSI-LLVKDONJSA-N
MW335.41 g/mol
LogP-0.59
Rot. Bonds4

About (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide

(2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide (PubChem CID 94541706) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide
PubChem CID94541706
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1
InChIInChI=1S/C16H25N5O3/c1-11(15(23)17-12-3-4-12)20-7-9-21(10-8-20)16(24)13-5-6-14(22)19(2)18-13/h11-12H,3-10H2,1-2H3,(H,17,23)/t11-/m1/s1
InChIKeyFYUFPPMEKIDMSI-LLVKDONJSA-N
XLogP-0.59
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide (CID 94541706) is (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide is C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is FYUFPPMEKIDMSI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11(15(23)17-12-3-4-12)20-7-9-21(10-8-20)16(24)13-5-6-14(22)19(2)18-13/h11-12H,3-10H2,1-2H3,(H,17,23)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 94541706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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