tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate

C20H24N4O3 — CID 122590937

IUPACtert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)27-19(26)24-10-9-16(13-24)22-18(25)17-11-15(12-21-23-17)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyZWRRQYFDFHLGFD-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 122590937) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate
PubChem CID122590937
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nametert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)27-19(26)24-10-9-16(13-24)22-18(25)17-11-15(12-21-23-17)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyZWRRQYFDFHLGFD-UHFFFAOYSA-N
XLogP2.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl (3R)-3-[methyl-(5-phenylpyridazin-3-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 130356629
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 3-[(2,5-dichloropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate
CID 172648294
tert-butyl (3S)-3-[(2-ethylsulfanylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 91552011
tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate (CID 122590937) is tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)cnn2)C1.
What is the InChIKey of tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is ZWRRQYFDFHLGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,3)27-19(26)24-10-9-16(13-24)22-18(25)17-11-15(12-21-23-17)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 122590937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).