N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C19H26N4O3 — CID 46951715

IUPACN-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2OCCN2CCCCCC2)=NN1
InChIInChI=1S/C19H26N4O3/c24-18-10-9-16(21-22-18)19(25)20-15-7-3-4-8-17(15)26-14-13-23-11-5-1-2-6-12-23/h3-4,7-8H,1-2,5-6,9-14H2,(H,20,25)(H,22,24)
InChIKeyLQGUERLUZDAORL-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.15
Rot. Bonds6

About N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 46951715) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID46951715
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2OCCN2CCCCCC2)=NN1
InChIInChI=1S/C19H26N4O3/c24-18-10-9-16(21-22-18)19(25)20-15-7-3-4-8-17(15)26-14-13-23-11-5-1-2-6-12-23/h3-4,7-8H,1-2,5-6,9-14H2,(H,20,25)(H,22,24)
InChIKeyLQGUERLUZDAORL-UHFFFAOYSA-N
XLogP2.15
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 134110162
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
N-(2-morpholin-4-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 2815283
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
CID 138400224
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
CID 56782304
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43358146
4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 43358589
2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814765
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 46951715) is N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2OCCN2CCCCCC2)=NN1.
What is the InChIKey of N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LQGUERLUZDAORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-18-10-9-16(21-22-18)19(25)20-15-7-3-4-8-17(15)26-14-13-23-11-5-1-2-6-12-23/h3-4,7-8H,1-2,5-6,9-14H2,(H,20,25)(H,22,24).
What are the key properties of N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46951715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).