4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid

C13H18N4O3 — CID 119352616

IUPAC4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C13H18N4O3/c18-12(19)4-3-7-14-13(20)10-5-6-11(16-15-10)17-8-1-2-9-17/h5-6H,1-4,7-9H2,(H,14,20)(H,18,19)
InChIKeyALTFXZUJFFQPET-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.67
Rot. Bonds6

About 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid

4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 119352616) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
PubChem CID119352616
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C13H18N4O3/c18-12(19)4-3-7-14-13(20)10-5-6-11(16-15-10)17-8-1-2-9-17/h5-6H,1-4,7-9H2,(H,14,20)(H,18,19)
InChIKeyALTFXZUJFFQPET-UHFFFAOYSA-N
XLogP0.67
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.67
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

N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027842
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119529366
6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109126321
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839

Frequently Asked Questions

What is the IUPAC name of 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid (CID 119352616) is 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is ALTFXZUJFFQPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(19)4-3-7-14-13(20)10-5-6-11(16-15-10)17-8-1-2-9-17/h5-6H,1-4,7-9H2,(H,14,20)(H,18,19).
What are the key properties of 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119352616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).