(3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide

C10H14N4O2 — CID 104893294

IUPAC(3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)[C@H]1CCCNC1
InChIInChI=1S/C10H14N4O2/c15-9-4-3-8(13-14-9)12-10(16)7-2-1-5-11-6-7/h3-4,7,11H,1-2,5-6H2,(H,14,15)(H,12,13,16)/t7-/m0/s1
InChIKeyKAIUJMRBGDEXGP-ZETCQYMHSA-N
MW222.25 g/mol
LogP-0.29
Rot. Bonds2

About (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide

(3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 104893294) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide
PubChem CID104893294
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)[C@H]1CCCNC1
InChIInChI=1S/C10H14N4O2/c15-9-4-3-8(13-14-9)12-10(16)7-2-1-5-11-6-7/h3-4,7,11H,1-2,5-6H2,(H,14,15)(H,12,13,16)/t7-/m0/s1
InChIKeyKAIUJMRBGDEXGP-ZETCQYMHSA-N
XLogP-0.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide (CID 104893294) is (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1ccc(=O)[nH]n1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is KAIUJMRBGDEXGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9-4-3-8(13-14-9)12-10(16)7-2-1-5-11-6-7/h3-4,7,11H,1-2,5-6H2,(H,14,15)(H,12,13,16)/t7-/m0/s1.
What are the key properties of (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 104893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).