N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide

C16H18N4O — CID 133342994

IUPACN-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(c3ccccc3)C2)nn1
InChIInChI=1S/C16H18N4O/c1-17-16(21)14-7-8-15(19-18-14)20-10-9-13(11-20)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,17,21)
InChIKeyNELBYZKIXMIZNJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.83
Rot. Bonds3

About N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide

N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide (PubChem CID 133342994) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
PubChem CID133342994
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(c3ccccc3)C2)nn1
InChIInChI=1S/C16H18N4O/c1-17-16(21)14-7-8-15(19-18-14)20-10-9-13(11-20)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,17,21)
InChIKeyNELBYZKIXMIZNJ-UHFFFAOYSA-N
XLogP1.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
CID 133329365
6-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-N-methylpyridazine-3-carboxamide
CID 96566216
6-[2-(1-aminoethyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 115315974
6-[2-(2-fluorophenyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 133343718
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133340366
6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 99857965
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
CID 97326064

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide (CID 133342994) is N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC(c3ccccc3)C2)nn1.
What is the InChIKey of N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is NELBYZKIXMIZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-17-16(21)14-7-8-15(19-18-14)20-10-9-13(11-20)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,17,21).
What are the key properties of N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide?
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133342994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).