2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide

C10H14N4O — CID 116786688

IUPAC2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2cccnn2)CCCN1
InChIInChI=1S/C10H14N4O/c1-10(5-3-6-11-10)9(15)13-8-4-2-7-12-14-8/h2,4,7,11H,3,5-6H2,1H3,(H,13,14,15)
InChIKeyKUCYYSODWGZKMK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.56
Rot. Bonds2

About 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide

2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide (PubChem CID 116786688) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide
PubChem CID116786688
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2cccnn2)CCCN1
InChIInChI=1S/C10H14N4O/c1-10(5-3-6-11-10)9(15)13-8-4-2-7-12-14-8/h2,4,7,11H,3,5-6H2,1H3,(H,13,14,15)
InChIKeyKUCYYSODWGZKMK-UHFFFAOYSA-N
XLogP0.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide (CID 116786688) is 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide is CC1(C(=O)Nc2cccnn2)CCCN1.
What is the InChIKey of 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is KUCYYSODWGZKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(5-3-6-11-10)9(15)13-8-4-2-7-12-14-8/h2,4,7,11H,3,5-6H2,1H3,(H,13,14,15).
What are the key properties of 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridazin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 116786688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).