ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide

C24H31N5O4 — CID 145459204

IUPACethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCC.O=C(Nc1cc(OCCn2nc(-c3ccccc3)ccc2=O)ccn1)N1CCOCC1.[H][H]
InChIInChI=1S/C22H23N5O4.C2H6.H2/c28-21-7-6-19(17-4-2-1-3-5-17)25-27(21)12-15-31-18-8-9-23-20(16-18)24-22(29)26-10-13-30-14-11-26;1-2;/h1-9,16H,10-15H2,(H,23,24,29);1-2H3;1H
InChIKeyODASPHWIAPRMKS-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.52
Rot. Bonds6

About ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide

ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 145459204) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID145459204
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Nameethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCC.O=C(Nc1cc(OCCn2nc(-c3ccccc3)ccc2=O)ccn1)N1CCOCC1.[H][H]
InChIInChI=1S/C22H23N5O4.C2H6.H2/c28-21-7-6-19(17-4-2-1-3-5-17)25-27(21)12-15-31-18-8-9-23-20(16-18)24-22(29)26-10-13-30-14-11-26;1-2;/h1-9,16H,10-15H2,(H,23,24,29);1-2H3;1H
InChIKeyODASPHWIAPRMKS-UHFFFAOYSA-N
XLogP3.52
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-phenyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 110868204
N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]-1-pyrrolidin-1-ylethanone
CID 158606154
1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 16747501
N-[4-[3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 73053686
1-ethyl-3-[3-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 59849671
[(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide
CID 143611282
N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24603947
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-phenylpyridazin-3-one
CID 25016340
[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate
CID 22769112
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide (CID 145459204) is ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide is CC.O=C(Nc1cc(OCCn2nc(-c3ccccc3)ccc2=O)ccn1)N1CCOCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is ODASPHWIAPRMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4.C2H6.H2/c28-21-7-6-19(17-4-2-1-3-5-17)25-27(21)12-15-31-18-8-9-23-20(16-18)24-22(29)26-10-13-30-14-11-26;1-2;/h1-9,16H,10-15H2,(H,23,24,29);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide?
ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 145459204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).