N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide

C18H21N5O4 — CID 90509701

IUPACN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C18H21N5O4/c1-3-27-16-9-8-15(22-23-16)18(26)20-11-10-19-17(25)13-4-6-14(7-5-13)21-12(2)24/h4-9H,3,10-11H2,1-2H3,(H,19,25)(H,20,26)(H,21,24)
InChIKeyUOHSMTGSBCRFSJ-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.99
Rot. Bonds8

About N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide

N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide (PubChem CID 90509701) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide
PubChem CID90509701
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C18H21N5O4/c1-3-27-16-9-8-15(22-23-16)18(26)20-11-10-19-17(25)13-4-6-14(7-5-13)21-12(2)24/h4-9H,3,10-11H2,1-2H3,(H,19,25)(H,20,26)(H,21,24)
InChIKeyUOHSMTGSBCRFSJ-UHFFFAOYSA-N
XLogP0.99
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
CID 90509671
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121054133
N-(3,5-dimethylphenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509536
N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509652
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 91816344
4-acetamido-N-[2-(1,3-oxazol-4-yl)ethyl]benzamide
CID 110743557
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
N-ethyl-6-methoxypyridazine-3-carboxamide
CID 90509402
6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 90509597
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide?
The IUPAC name of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide (CID 90509701) is N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide is CCOc1ccc(C(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide?
The InChIKey is UOHSMTGSBCRFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-3-27-16-9-8-15(22-23-16)18(26)20-11-10-19-17(25)13-4-6-14(7-5-13)21-12(2)24/h4-9H,3,10-11H2,1-2H3,(H,19,25)(H,20,26)(H,21,24).
What are the key properties of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide?
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide is sourced from PubChem (CID 90509701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).