N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide

C22H28N4O2 — CID 70784592

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)C3(c4ccccc4)CCCC3)C2)cc1=O
InChIInChI=1S/C22H28N4O2/c1-25-20(27)13-19(15-24-25)26-12-9-17(16-26)14-23-21(28)22(10-5-6-11-22)18-7-3-2-4-8-18/h2-4,7-8,13,15,17H,5-6,9-12,14,16H2,1H3,(H,23,28)
InChIKeyUBOIFYTXGQLEQD-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.23
Rot. Bonds5

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 70784592) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID70784592
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)C3(c4ccccc4)CCCC3)C2)cc1=O
InChIInChI=1S/C22H28N4O2/c1-25-20(27)13-19(15-24-25)26-12-9-17(16-26)14-23-21(28)22(10-5-6-11-22)18-7-3-2-4-8-18/h2-4,7-8,13,15,17H,5-6,9-12,14,16H2,1H3,(H,23,28)
InChIKeyUBOIFYTXGQLEQD-UHFFFAOYSA-N
XLogP2.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide (CID 70784592) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide is Cn1ncc(N2CCC(CNC(=O)C3(c4ccccc4)CCCC3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is UBOIFYTXGQLEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25-20(27)13-19(15-24-25)26-12-9-17(16-26)14-23-21(28)22(10-5-6-11-22)18-7-3-2-4-8-18/h2-4,7-8,13,15,17H,5-6,9-12,14,16H2,1H3,(H,23,28).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 70784592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).