2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide

C19H24N4O4 — CID 70722394

IUPAC2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H24N4O4/c1-22-17(24)9-14(11-21-22)23-8-7-13(12-23)10-20-19(25)18-15(26-2)5-4-6-16(18)27-3/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H,20,25)
InChIKeyYYAFVUNMQGFEMS-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.05
Rot. Bonds6

About 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide

2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 70722394) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID70722394
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H24N4O4/c1-22-17(24)9-14(11-21-22)23-8-7-13(12-23)10-20-19(25)18-15(26-2)5-4-6-16(18)27-3/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H,20,25)
InChIKeyYYAFVUNMQGFEMS-UHFFFAOYSA-N
XLogP1.05
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-6-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70780609
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 45236169
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]-2-oxopentanamide
CID 56881772
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 45221264
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 45196861
1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride
CID 154897288

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide (CID 70722394) is 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide is COc1cccc(OC)c1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is YYAFVUNMQGFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-22-17(24)9-14(11-21-22)23-8-7-13(12-23)10-20-19(25)18-15(26-2)5-4-6-16(18)27-3/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H,20,25).
What are the key properties of 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 70722394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).