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

C17H26N4O2 — CID 70755397

IUPAC3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCC3(C)CC3)C2)cc1=O
InChIInChI=1S/C17H26N4O2/c1-17(6-7-17)5-3-15(22)18-10-13-4-8-21(12-13)14-9-16(23)20(2)19-11-14/h9,11,13H,3-8,10,12H2,1-2H3,(H,18,22)
InChIKeyPWMCAZWXEYNVNL-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.30
Rot. Bonds6

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

3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 70755397) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID70755397
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCC3(C)CC3)C2)cc1=O
InChIInChI=1S/C17H26N4O2/c1-17(6-7-17)5-3-15(22)18-10-13-4-8-21(12-13)14-9-16(23)20(2)19-11-14/h9,11,13H,3-8,10,12H2,1-2H3,(H,18,22)
InChIKeyPWMCAZWXEYNVNL-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 45196861
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 70730789
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70739773
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70770761
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70722394
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70738538
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 45221264

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide (CID 70755397) is 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide is Cn1ncc(N2CCC(CNC(=O)CCC3(C)CC3)C2)cc1=O.
What is the InChIKey of 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is PWMCAZWXEYNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(6-7-17)5-3-15(22)18-10-13-4-8-21(12-13)14-9-16(23)20(2)19-11-14/h9,11,13H,3-8,10,12H2,1-2H3,(H,18,22).
What are the key properties of 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 70755397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).