N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide

C12H18N4O — CID 104671440

IUPACN-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide
SMILESCCN(C(=O)c1ccnnc1)C1CCCNC1
InChIInChI=1S/C12H18N4O/c1-2-16(11-4-3-6-13-9-11)12(17)10-5-7-14-15-8-10/h5,7-8,11,13H,2-4,6,9H2,1H3
InChIKeyQNJSPZQRRJUKDI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.69
Rot. Bonds3

About N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide

N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide (PubChem CID 104671440) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide
PubChem CID104671440
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide
SMILESCCN(C(=O)c1ccnnc1)C1CCCNC1
InChIInChI=1S/C12H18N4O/c1-2-16(11-4-3-6-13-9-11)12(17)10-5-7-14-15-8-10/h5,7-8,11,13H,2-4,6,9H2,1H3
InChIKeyQNJSPZQRRJUKDI-UHFFFAOYSA-N
XLogP0.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 63636559
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
N-ethyl-3-methoxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 105064085
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
N-ethyl-N-piperidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909185
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
CID 63637955
N-ethyl-2-methyl-N-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 65198740
N-ethyl-3-nitro-N-piperidin-3-ylbenzamide
CID 63636738
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide?
The IUPAC name of N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide (CID 104671440) is N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide is CCN(C(=O)c1ccnnc1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide?
The InChIKey is QNJSPZQRRJUKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-16(11-4-3-6-13-9-11)12(17)10-5-7-14-15-8-10/h5,7-8,11,13H,2-4,6,9H2,1H3.
What are the key properties of N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide?
N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 104671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).