6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide

C16H21N5O — CID 133385755

IUPAC6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nn1
InChIInChI=1S/C16H21N5O/c1-17-16(22)14-8-9-15(19-18-14)21(4)11-12-6-5-7-13(10-12)20(2)3/h5-10H,11H2,1-4H3,(H,17,22)
InChIKeyWARBTMKBWYKNCM-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.54
Rot. Bonds5

About 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide

6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133385755) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133385755
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nn1
InChIInChI=1S/C16H21N5O/c1-17-16(22)14-8-9-15(19-18-14)21(4)11-12-6-5-7-13(10-12)20(2)3/h5-10H,11H2,1-4H3,(H,17,22)
InChIKeyWARBTMKBWYKNCM-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide
CID 133343638
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide
CID 133385875
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133385812
6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylpyridazine-3-carboxamide
CID 113476224
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
N-methyl-6-[methyl(2-pyrazol-1-ylethyl)amino]pyridazine-3-carboxamide
CID 133339281
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide (CID 133385755) is 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nn1.
What is the InChIKey of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is WARBTMKBWYKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-17-16(22)14-8-9-15(19-18-14)21(4)11-12-6-5-7-13(10-12)20(2)3/h5-10H,11H2,1-4H3,(H,17,22).
What are the key properties of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide?
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133385755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).