N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide

C17H25N7O — CID 128981766

IUPACN-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nn1
InChIInChI=1S/C17H25N7O/c1-18-17(25)13-6-7-15(22-21-13)20-9-12-5-4-8-23(2)16(12)14-10-19-11-24(14)3/h6-7,10-12,16H,4-5,8-9H2,1-3H3,(H,18,25)(H,20,22)/t12-,16+/m0/s1
InChIKeyHKEYCBAAMNNQLR-BLLLJJGKSA-N
MW343.44 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide

N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide (PubChem CID 128981766) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide
PubChem CID128981766
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nn1
InChIInChI=1S/C17H25N7O/c1-18-17(25)13-6-7-15(22-21-13)20-9-12-5-4-8-23(2)16(12)14-10-19-11-24(14)3/h6-7,10-12,16H,4-5,8-9H2,1-3H3,(H,18,25)(H,20,22)/t12-,16+/m0/s1
InChIKeyHKEYCBAAMNNQLR-BLLLJJGKSA-N
XLogP1.06
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989664
1,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrrole-2-carboxamide
CID 128985047
N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 128989638
3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 128985054
6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133343187
2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide
CID 128989666
1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine
CID 128983758
4-[methyl-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 154769445
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide
CID 128981659
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
N-methyl-6-[(1-methylpyrazol-3-yl)methylamino]pyridazine-3-carboxamide
CID 82874153

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide (CID 128981766) is N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide is CNC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nn1.
What is the InChIKey of N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide?
The InChIKey is HKEYCBAAMNNQLR-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H25N7O/c1-18-17(25)13-6-7-15(22-21-13)20-9-12-5-4-8-23(2)16(12)14-10-19-11-24(14)3/h6-7,10-12,16H,4-5,8-9H2,1-3H3,(H,18,25)(H,20,22)/t12-,16+/m0/s1.
What are the key properties of N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide?
N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 128981766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).