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

C17H22N4O2 — CID 94174293

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC1=O
InChIInChI=1S/C17H22N4O2/c1-20-16(22)8-7-15(19-20)17(23)18-14-9-10-21(12-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyVAGZYGUAQFZXCS-CQSZACIVSA-N
MW314.39 g/mol
LogP0.99
Rot. Bonds4

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

N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 94174293) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID94174293
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC1=O
InChIInChI=1S/C17H22N4O2/c1-20-16(22)8-7-15(19-20)17(23)18-14-9-10-21(12-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyVAGZYGUAQFZXCS-CQSZACIVSA-N
XLogP0.99
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide
CID 95094303
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42315406
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41232811

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 94174293) is N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC1=O.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VAGZYGUAQFZXCS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-16(22)8-7-15(19-20)17(23)18-14-9-10-21(12-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 94174293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).