1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C18H25N5O2 — CID 46297913

IUPAC1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(N(C)C)nn3)CC2)o1
InChIInChI=1S/C18H25N5O2/c1-13-4-5-15(25-13)12-19-18(24)14-8-10-23(11-9-14)17-7-6-16(20-21-17)22(2)3/h4-7,14H,8-12H2,1-3H3,(H,19,24)
InChIKeyVYXVJBGVMVNJPY-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.98
Rot. Bonds5

About 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 46297913) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID46297913
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(N(C)C)nn3)CC2)o1
InChIInChI=1S/C18H25N5O2/c1-13-4-5-15(25-13)12-19-18(24)14-8-10-23(11-9-14)17-7-6-16(20-21-17)22(2)3/h4-7,14H,8-12H2,1-3H3,(H,19,24)
InChIKeyVYXVJBGVMVNJPY-UHFFFAOYSA-N
XLogP1.98
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768356
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768626
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53034149
1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 50771131
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46378501
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53037374
1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46358687

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 46297913) is 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ccc(N(C)C)nn3)CC2)o1.
What is the InChIKey of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VYXVJBGVMVNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-4-5-15(25-13)12-19-18(24)14-8-10-23(11-9-14)17-7-6-16(20-21-17)22(2)3/h4-7,14H,8-12H2,1-3H3,(H,19,24).
What are the key properties of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46297913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).