3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide

C13H20N4O — CID 106896186

IUPAC3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccnn2)CCNC1
InChIInChI=1S/C13H20N4O/c1-2-5-13(6-8-14-10-13)12(18)15-9-11-4-3-7-16-17-11/h3-4,7,14H,2,5-6,8-10H2,1H3,(H,15,18)
InChIKeyKFRMEPQEEXLALZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.87
Rot. Bonds5

About 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide

3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 106896186) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID106896186
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccnn2)CCNC1
InChIInChI=1S/C13H20N4O/c1-2-5-13(6-8-14-10-13)12(18)15-9-11-4-3-7-16-17-11/h3-4,7,14H,2,5-6,8-10H2,1H3,(H,15,18)
InChIKeyKFRMEPQEEXLALZ-UHFFFAOYSA-N
XLogP0.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106896124
3-ethyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55165709
N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63302616
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63141485
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 106896186) is 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2cccnn2)CCNC1.
What is the InChIKey of 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KFRMEPQEEXLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-5-13(6-8-14-10-13)12(18)15-9-11-4-3-7-16-17-11/h3-4,7,14H,2,5-6,8-10H2,1H3,(H,15,18).
What are the key properties of 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide?
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106896186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).