1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide

C17H21N5O2 — CID 75461600

IUPAC1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(Cc3ccccn3)CC2)ccc1=O
InChIInChI=1S/C17H21N5O2/c1-21-16(23)6-5-15(20-21)17(24)19-13-7-10-22(11-8-13)12-14-4-2-3-9-18-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,19,24)
InChIKeyXFUMECNTYXPRRT-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.57
Rot. Bonds4

About 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide (PubChem CID 75461600) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
PubChem CID75461600
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(Cc3ccccn3)CC2)ccc1=O
InChIInChI=1S/C17H21N5O2/c1-21-16(23)6-5-15(20-21)17(24)19-13-7-10-22(11-8-13)12-14-4-2-3-9-18-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,19,24)
InChIKeyXFUMECNTYXPRRT-UHFFFAOYSA-N
XLogP0.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide (CID 75461600) is 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCN(Cc3ccccn3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide?
The InChIKey is XFUMECNTYXPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-16(23)6-5-15(20-21)17(24)19-13-7-10-22(11-8-13)12-14-4-2-3-9-18-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,19,24).
What are the key properties of 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 75461600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).