6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide

C15H16N4O3 — CID 108539979

IUPAC6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16N4O3/c20-13-7-6-12(18-19-13)15(22)17-9-8-16-14(21)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,21)(H,17,22)(H,19,20)
InChIKeyIYAJZQCDPRPMJJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP-0.14
Rot. Bonds6

About 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 108539979) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
PubChem CID108539979
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16N4O3/c20-13-7-6-12(18-19-13)15(22)17-9-8-16-14(21)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,21)(H,17,22)(H,19,20)
InChIKeyIYAJZQCDPRPMJJ-UHFFFAOYSA-N
XLogP-0.14
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108542025
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
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
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 112790938
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide (CID 108539979) is 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide is O=C(Cc1ccccc1)NCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is IYAJZQCDPRPMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-13-7-6-12(18-19-13)15(22)17-9-8-16-14(21)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,21)(H,17,22)(H,19,20).
What are the key properties of 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108539979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).