N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide

C13H20N4O — CID 113439411

IUPACN-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide
SMILESCCCN(C(=O)c1cc(C)nnc1C)C1CNC1
InChIInChI=1S/C13H20N4O/c1-4-5-17(11-7-14-8-11)13(18)12-6-9(2)15-16-10(12)3/h6,11,14H,4-5,7-8H2,1-3H3
InChIKeyBZNBCWZEMYVHMP-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds4

About N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide

N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide (PubChem CID 113439411) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide
PubChem CID113439411
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide
SMILESCCCN(C(=O)c1cc(C)nnc1C)C1CNC1
InChIInChI=1S/C13H20N4O/c1-4-5-17(11-7-14-8-11)13(18)12-6-9(2)15-16-10(12)3/h6,11,14H,4-5,7-8H2,1-3H3
InChIKeyBZNBCWZEMYVHMP-UHFFFAOYSA-N
XLogP0.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
3,6-dimethyl-N-propyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119531516
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454
N-(azetidin-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
CID 66181604
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
CID 79749886
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide
CID 114030457
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66184379
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide (CID 113439411) is N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide is CCCN(C(=O)c1cc(C)nnc1C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide?
The InChIKey is BZNBCWZEMYVHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-5-17(11-7-14-8-11)13(18)12-6-9(2)15-16-10(12)3/h6,11,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide?
N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide is sourced from PubChem (CID 113439411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).