1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C19H26N4O2 — CID 136578607

IUPAC1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1
InChIInChI=1S/C19H26N4O2/c1-2-22-11-10-16(13-22)12-20-19(25)17-8-9-18(24)23(21-17)14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,20,25)
InChIKeyYMJGFTAPABTJMC-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.62
Rot. Bonds6

About 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 136578607) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID136578607
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1
InChIInChI=1S/C19H26N4O2/c1-2-22-11-10-16(13-22)12-20-19(25)17-8-9-18(24)23(21-17)14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,20,25)
InChIKeyYMJGFTAPABTJMC-UHFFFAOYSA-N
XLogP1.62
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55798264
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119213268
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
1-benzyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 86993326
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
1-benzyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 110954008
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 99839974
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 136578607) is 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCN1CCC(CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1.
What is the InChIKey of 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is YMJGFTAPABTJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-22-11-10-16(13-22)12-20-19(25)17-8-9-18(24)23(21-17)14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,20,25).
What are the key properties of 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 136578607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).