5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one

C15H17N5O2 — CID 56778508

IUPAC5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H17N5O2/c21-14-4-3-11(10-16-14)15(22)20-8-5-12(6-9-20)18-13-2-1-7-17-19-13/h1-4,7,10,12H,5-6,8-9H2,(H,16,21)(H,18,19)
InChIKeyDDDCHGZRCZDRKG-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.88
Rot. Bonds3

About 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56778508) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56778508
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H17N5O2/c21-14-4-3-11(10-16-14)15(22)20-8-5-12(6-9-20)18-13-2-1-7-17-19-13/h1-4,7,10,12H,5-6,8-9H2,(H,16,21)(H,18,19)
InChIKeyDDDCHGZRCZDRKG-UHFFFAOYSA-N
XLogP0.88
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56778508) is 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DDDCHGZRCZDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14-4-3-11(10-16-14)15(22)20-8-5-12(6-9-20)18-13-2-1-7-17-19-13/h1-4,7,10,12H,5-6,8-9H2,(H,16,21)(H,18,19).
What are the key properties of 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 299.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56778508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).