3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

C16H19N5O2 — CID 56778588

IUPAC3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(NC2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1
InChIInChI=1S/C16H19N5O2/c1-11-4-5-14(20-19-11)18-12-6-9-21(10-7-12)16(23)13-3-2-8-17-15(13)22/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,22)(H,18,20)
InChIKeyLQXUHMKGKPCJIC-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.19
Rot. Bonds3

About 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56778588) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56778588
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(NC2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1
InChIInChI=1S/C16H19N5O2/c1-11-4-5-14(20-19-11)18-12-6-9-21(10-7-12)16(23)13-3-2-8-17-15(13)22/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,22)(H,18,20)
InChIKeyLQXUHMKGKPCJIC-UHFFFAOYSA-N
XLogP1.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56778588) is 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(NC2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1.
What is the InChIKey of 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LQXUHMKGKPCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-4-5-14(20-19-11)18-12-6-9-21(10-7-12)16(23)13-3-2-8-17-15(13)22/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,22)(H,18,20).
What are the key properties of 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 313.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56778588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).