N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide

C12H18N4O — CID 104671340

IUPACN-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
SMILESCC(NC(=O)c1ccnnc1)C1CCCNC1
InChIInChI=1S/C12H18N4O/c1-9(10-3-2-5-13-7-10)16-12(17)11-4-6-14-15-8-11/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyCWVPVNHFDKGKFJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.59
Rot. Bonds3

About N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide

N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide (PubChem CID 104671340) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
PubChem CID104671340
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
SMILESCC(NC(=O)c1ccnnc1)C1CCCNC1
InChIInChI=1S/C12H18N4O/c1-9(10-3-2-5-13-7-10)16-12(17)11-4-6-14-15-8-11/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyCWVPVNHFDKGKFJ-UHFFFAOYSA-N
XLogP0.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 113265500
1-methyl-2-oxo-N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 103793645
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
3-chloro-5-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 81322966
5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
CID 113265499
N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119474135

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide (CID 104671340) is N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide is CC(NC(=O)c1ccnnc1)C1CCCNC1.
What is the InChIKey of N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide?
The InChIKey is CWVPVNHFDKGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(10-3-2-5-13-7-10)16-12(17)11-4-6-14-15-8-11/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide?
N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104671340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).