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

C14H14N4O4 — CID 108573584

IUPACphenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccc(=O)[nH]n1)Oc1ccccc1
InChIInChI=1S/C14H14N4O4/c19-12-7-6-11(17-18-12)13(20)15-8-9-16-14(21)22-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,20)(H,16,21)(H,18,19)
InChIKeyWXCBKFOCTZXPAI-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.29
Rot. Bonds5

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

phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate (PubChem CID 108573584) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
PubChem CID108573584
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Namephenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccc(=O)[nH]n1)Oc1ccccc1
InChIInChI=1S/C14H14N4O4/c19-12-7-6-11(17-18-12)13(20)15-8-9-16-14(21)22-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,20)(H,16,21)(H,18,19)
InChIKeyWXCBKFOCTZXPAI-UHFFFAOYSA-N
XLogP0.29
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
(4-methylphenyl) 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetate
CID 110670526
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108542025
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
CID 108926634

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate (CID 108573584) is phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate is O=C(NCCNC(=O)c1ccc(=O)[nH]n1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is WXCBKFOCTZXPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c19-12-7-6-11(17-18-12)13(20)15-8-9-16-14(21)22-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,20)(H,16,21)(H,18,19).
What are the key properties of phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate?
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 302.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 108573584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).