N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide

C18H23N3O3 — CID 78779706

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-4-12-21-17(22)11-10-16(19-21)18(23)20(3)13-14-6-8-15(9-7-14)24-5-2/h6-11H,4-5,12-13H2,1-3H3
InChIKeyJQQKWDTXBHFSKD-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.32
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 78779706) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID78779706
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-4-12-21-17(22)11-10-16(19-21)18(23)20(3)13-14-6-8-15(9-7-14)24-5-2/h6-11H,4-5,12-13H2,1-3H3
InChIKeyJQQKWDTXBHFSKD-UHFFFAOYSA-N
XLogP2.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 18112340
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
CID 31211747
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55957270
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 31327419
1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 78770523
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 30539309
1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64511849
1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 31641773

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide (CID 78779706) is N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(C)Cc2ccc(OCC)cc2)ccc1=O.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is JQQKWDTXBHFSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-12-21-17(22)11-10-16(19-21)18(23)20(3)13-14-6-8-15(9-7-14)24-5-2/h6-11H,4-5,12-13H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 78779706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).