N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide

C15H20N6O — CID 110090149

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide
SMILESCn1ccnc1CNC(=O)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H20N6O/c1-20-10-7-16-14(20)11-17-15(22)12-4-8-21(9-5-12)13-3-2-6-18-19-13/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,17,22)
InChIKeyACYNWXLORDLLHX-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.74
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide (PubChem CID 110090149) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide
PubChem CID110090149
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide
SMILESCn1ccnc1CNC(=O)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H20N6O/c1-20-10-7-16-14(20)11-17-15(22)12-4-8-21(9-5-12)13-3-2-6-18-19-13/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,17,22)
InChIKeyACYNWXLORDLLHX-UHFFFAOYSA-N
XLogP0.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 126771166
1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
CID 154736160
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50771156
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785
(3R)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96581071
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91834859
N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide
CID 11609685
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 30364305

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide (CID 110090149) is N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide is Cn1ccnc1CNC(=O)C1CCN(c2cccnn2)CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide?
The InChIKey is ACYNWXLORDLLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-10-7-16-14(20)11-17-15(22)12-4-8-21(9-5-12)13-3-2-6-18-19-13/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,17,22).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 110090149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).