1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide

C21H21N3O4 — CID 46558461

IUPAC1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1=O
InChIInChI=1S/C21H21N3O4/c1-27-14-13-24-20(25)12-11-19(23-24)21(26)22-17-7-9-18(10-8-17)28-15-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,26)
InChIKeyRMLFUAPHSMZNSC-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.72
Rot. Bonds8

About 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 46558461) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
PubChem CID46558461
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1=O
InChIInChI=1S/C21H21N3O4/c1-27-14-13-24-20(25)12-11-19(23-24)21(26)22-17-7-9-18(10-8-17)28-15-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,26)
InChIKeyRMLFUAPHSMZNSC-UHFFFAOYSA-N
XLogP2.72
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
2-(4-{[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-phenylacetamide
CID 5889235
4-benzyloxy-1-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1H-pyridin-2-one
CID 11502008
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625
4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}-pyridin-2(1H)-one
CID 11596311
4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11689582
4-benzyloxy-1-{4-[2-(1-piperidinyl)ethoxy]phenyl}-1H-pyridin-2-one
CID 24780883
4-(Benzyloxy)-1-{4-[(1-methylpyrrolidin-3-yl)oxy]-phenyl}pyridin-2(1H)-one
CID 53318592
4-(Benzyloxy)-1-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-pyridin-2(1H)-one
CID 53318801
4-(Benzyloxy)-1-(4-{[1-(dimethylamino)-2-methylpropan-2-yl]oxy}phenyl)pyridin-2(1H)-one
CID 53324269

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide (CID 46558461) is 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is RMLFUAPHSMZNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-14-13-24-20(25)12-11-19(23-24)21(26)22-17-7-9-18(10-8-17)28-15-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,26).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 46558461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).