6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide

C13H20N4O2 — CID 103813157

IUPAC6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(=O)[nH]n1)C1CCNCC1
InChIInChI=1S/C13H20N4O2/c1-2-9-17(10-5-7-14-8-6-10)13(19)11-3-4-12(18)16-15-11/h3-4,10,14H,2,5-9H2,1H3,(H,16,18)
InChIKeyBVTMRJCMGJXTQS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.37
Rot. Bonds4

About 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide

6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide (PubChem CID 103813157) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide
PubChem CID103813157
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(=O)[nH]n1)C1CCNCC1
InChIInChI=1S/C13H20N4O2/c1-2-9-17(10-5-7-14-8-6-10)13(19)11-3-4-12(18)16-15-11/h3-4,10,14H,2,5-9H2,1H3,(H,16,18)
InChIKeyBVTMRJCMGJXTQS-UHFFFAOYSA-N
XLogP0.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 119823212
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 103813162
5-methyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 119825932
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide (CID 103813157) is 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide is CCCN(C(=O)c1ccc(=O)[nH]n1)C1CCNCC1.
What is the InChIKey of 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide?
The InChIKey is BVTMRJCMGJXTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-9-17(10-5-7-14-8-6-10)13(19)11-3-4-12(18)16-15-11/h3-4,10,14H,2,5-9H2,1H3,(H,16,18).
What are the key properties of 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide?
6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103813157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).