tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate

C15H23N5O5 — CID 108918758

IUPACtert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H23N5O5/c1-15(2,3)25-14(24)18-9-12(22)16-7-4-8-17-13(23)10-5-6-11(21)20-19-10/h5-6H,4,7-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)(H,20,21)
InChIKeyKERRBLUJCZWNHN-UHFFFAOYSA-N
MW353.38 g/mol
LogP-0.47
Rot. Bonds7

About tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate (PubChem CID 108918758) has the molecular formula C15H23N5O5 and a molecular weight of 353.38 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate
PubChem CID108918758
Molecular FormulaC15H23N5O5
Molecular Weight353.38 g/mol
Exact Mass353.17
IUPAC Nametert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H23N5O5/c1-15(2,3)25-14(24)18-9-12(22)16-7-4-8-17-13(23)10-5-6-11(21)20-19-10/h5-6H,4,7-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)(H,20,21)
InChIKeyKERRBLUJCZWNHN-UHFFFAOYSA-N
XLogP-0.47
TPSA142.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate
CID 108920072
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
N-[2-(4-tert-butylphenoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31336475
tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918698
tert-butyl N-[2-oxo-2-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]ethyl]carbamate
CID 108918760
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
CID 108926634

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate (CID 108918758) is tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate?
The InChIKey is KERRBLUJCZWNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O5/c1-15(2,3)25-14(24)18-9-12(22)16-7-4-8-17-13(23)10-5-6-11(21)20-19-10/h5-6H,4,7-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)(H,20,21).
What are the key properties of tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate has a molecular weight of 353.38 g/mol, XLogP of -0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate is sourced from PubChem (CID 108918758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).