(3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

C15H20N6O2 — CID 164640955

IUPAC(3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1ccc([C@H]2CCCN(C(=O)Nc3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-19-9-7-12(17-19)11-4-3-8-21(10-11)15(23)16-13-5-6-14(22)20(2)18-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18,23)/t11-/m0/s1
InChIKeyMBTQKJGCIFBMDW-NSHDSACASA-N
MW316.37 g/mol
LogP0.93
Rot. Bonds2

About (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

(3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 164640955) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID164640955
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1ccc([C@H]2CCCN(C(=O)Nc3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-19-9-7-12(17-19)11-4-3-8-21(10-11)15(23)16-13-5-6-14(22)20(2)18-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18,23)/t11-/m0/s1
InChIKeyMBTQKJGCIFBMDW-NSHDSACASA-N
XLogP0.93
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 164640955) is (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is Cn1ccc([C@H]2CCCN(C(=O)Nc3ccc(=O)n(C)n3)C2)n1.
What is the InChIKey of (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is MBTQKJGCIFBMDW-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2/c1-19-9-7-12(17-19)11-4-3-8-21(10-11)15(23)16-13-5-6-14(22)20(2)18-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18,23)/t11-/m0/s1.
What are the key properties of (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
(3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164640955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).