6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide

C12H19N5O — CID 133329265

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N(C)C)C2)nn1
InChIInChI=1S/C12H19N5O/c1-13-12(18)10-4-5-11(15-14-10)17-7-6-9(8-17)16(2)3/h4-5,9H,6-8H2,1-3H3,(H,13,18)
InChIKeyIBQAGWCEWDUXCL-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.02
Rot. Bonds3

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 133329265) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID133329265
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N(C)C)C2)nn1
InChIInChI=1S/C12H19N5O/c1-13-12(18)10-4-5-11(15-14-10)17-7-6-9(8-17)16(2)3/h4-5,9H,6-8H2,1-3H3,(H,13,18)
InChIKeyIBQAGWCEWDUXCL-UHFFFAOYSA-N
XLogP-0.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994
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-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
N,N-dimethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 115300830
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
6-[2-(1-aminoethyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 115315974
1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165035
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133343097
N-ethyl-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113254513
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 133329265) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC(N(C)C)C2)nn1.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is IBQAGWCEWDUXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-13-12(18)10-4-5-11(15-14-10)17-7-6-9(8-17)16(2)3/h4-5,9H,6-8H2,1-3H3,(H,13,18).
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133329265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).