6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide

C13H21N5O — CID 62989713

IUPAC6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCCN2CCCC2)nn1
InChIInChI=1S/C13H21N5O/c1-14-12-6-5-11(16-17-12)13(19)15-7-4-10-18-8-2-3-9-18/h5-6H,2-4,7-10H2,1H3,(H,14,17)(H,15,19)
InChIKeyKEIZSFRPSZSERJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.73
Rot. Bonds6

About 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide

6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide (PubChem CID 62989713) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
PubChem CID62989713
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCCN2CCCC2)nn1
InChIInChI=1S/C13H21N5O/c1-14-12-6-5-11(16-17-12)13(19)15-7-4-10-18-8-2-3-9-18/h5-6H,2-4,7-10H2,1H3,(H,14,17)(H,15,19)
InChIKeyKEIZSFRPSZSERJ-UHFFFAOYSA-N
XLogP0.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide
CID 62249790
6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
CID 55135442
N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
CID 130504947
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 62990248
5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 55229822
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide
CID 109115555
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide (CID 62989713) is 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide is CNc1ccc(C(=O)NCCCN2CCCC2)nn1.
What is the InChIKey of 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide?
The InChIKey is KEIZSFRPSZSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-14-12-6-5-11(16-17-12)13(19)15-7-4-10-18-8-2-3-9-18/h5-6H,2-4,7-10H2,1H3,(H,14,17)(H,15,19).
What are the key properties of 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide?
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62989713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).