N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H28N4O2 — CID 155153035

IUPACN-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(CC3CCCCC3)CN2)ccc1=O
InChIInChI=1S/C18H28N4O2/c1-22-17(23)10-8-15(21-22)18(24)20-16-9-7-14(12-19-16)11-13-5-3-2-4-6-13/h8,10,13-14,16,19H,2-7,9,11-12H2,1H3,(H,20,24)
InChIKeyFNDRBYATADETLJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.81
Rot. Bonds4

About N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 155153035) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID155153035
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(CC3CCCCC3)CN2)ccc1=O
InChIInChI=1S/C18H28N4O2/c1-22-17(23)10-8-15(21-22)18(24)20-16-9-7-14(12-19-16)11-13-5-3-2-4-6-13/h8,10,13-14,16,19H,2-7,9,11-12H2,1H3,(H,20,24)
InChIKeyFNDRBYATADETLJ-UHFFFAOYSA-N
XLogP1.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 155153035) is N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCC(CC3CCCCC3)CN2)ccc1=O.
What is the InChIKey of N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FNDRBYATADETLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-22-17(23)10-8-15(21-22)18(24)20-16-9-7-14(12-19-16)11-13-5-3-2-4-6-13/h8,10,13-14,16,19H,2-7,9,11-12H2,1H3,(H,20,24).
What are the key properties of N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)piperidin-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 155153035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).