N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide

C17H25N5O3 — CID 70721532

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCCC3=O)C2)cc1=O
InChIInChI=1S/C17H25N5O3/c1-20-17(25)9-14(11-19-20)22-7-4-13(12-22)10-18-15(23)5-8-21-6-2-3-16(21)24/h9,11,13H,2-8,10,12H2,1H3,(H,18,23)
InChIKeyARIIBYDIAOVUNC-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.26
Rot. Bonds6

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 70721532) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID70721532
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCCC3=O)C2)cc1=O
InChIInChI=1S/C17H25N5O3/c1-20-17(25)9-14(11-19-20)22-7-4-13(12-22)10-18-15(23)5-8-21-6-2-3-16(21)24/h9,11,13H,2-8,10,12H2,1H3,(H,18,23)
InChIKeyARIIBYDIAOVUNC-UHFFFAOYSA-N
XLogP-0.26
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 70721532) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide is Cn1ncc(N2CCC(CNC(=O)CCN3CCCC3=O)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is ARIIBYDIAOVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-20-17(25)9-14(11-19-20)22-7-4-13(12-22)10-18-15(23)5-8-21-6-2-3-16(21)24/h9,11,13H,2-8,10,12H2,1H3,(H,18,23).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 70721532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).