N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H17N5O4 — CID 121054133

IUPACN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H17N5O4/c1-10(22)19-12-4-2-11(3-5-12)15(24)17-8-9-18-16(25)13-6-7-14(23)21-20-13/h2-7H,8-9H2,1H3,(H,17,24)(H,18,25)(H,19,22)(H,21,23)
InChIKeyJPRQSYIMAFUAEM-UHFFFAOYSA-N
MW343.34 g/mol
LogP-0.11
Rot. Bonds6

About N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 121054133) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID121054133
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC NameN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H17N5O4/c1-10(22)19-12-4-2-11(3-5-12)15(24)17-8-9-18-16(25)13-6-7-14(23)21-20-13/h2-7H,8-9H2,1H3,(H,17,24)(H,18,25)(H,19,22)(H,21,23)
InChIKeyJPRQSYIMAFUAEM-UHFFFAOYSA-N
XLogP-0.11
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide
CID 90509701
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[2-(4-nitroanilino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 26446006
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
CID 108926634
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
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108573570
N-[2-(4-tert-butylphenoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31336475

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 121054133) is N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JPRQSYIMAFUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-10(22)19-12-4-2-11(3-5-12)15(24)17-8-9-18-16(25)13-6-7-14(23)21-20-13/h2-7H,8-9H2,1H3,(H,17,24)(H,18,25)(H,19,22)(H,21,23).
What are the key properties of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 343.34 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 121054133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).