1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide

C19H24N4O3 — CID 46410564

IUPAC1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cccc(CN3CCCC3)c2)ccc1=O
InChIInChI=1S/C19H24N4O3/c1-26-12-11-23-18(24)8-7-17(21-23)19(25)20-16-6-4-5-15(13-16)14-22-9-2-3-10-22/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,25)
InChIKeyVSAKVBMJHIAVGQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.74
Rot. Bonds7

About 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 46410564) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
PubChem CID46410564
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cccc(CN3CCCC3)c2)ccc1=O
InChIInChI=1S/C19H24N4O3/c1-26-12-11-23-18(24)8-7-17(21-23)19(25)20-16-6-4-5-15(13-16)14-22-9-2-3-10-22/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,25)
InChIKeyVSAKVBMJHIAVGQ-UHFFFAOYSA-N
XLogP1.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 38713115
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 37400276
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131944566
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide (CID 46410564) is 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2cccc(CN3CCCC3)c2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is VSAKVBMJHIAVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-12-11-23-18(24)8-7-17(21-23)19(25)20-16-6-4-5-15(13-16)14-22-9-2-3-10-22/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,25).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 46410564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).