N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide

C18H22N4O4 — CID 18112340

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C18H22N4O4/c1-4-11-22-17(24)10-9-15(20-22)18(25)21(2)12-16(23)19-13-5-7-14(26-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,19,23)
InChIKeySLWVLFOEYSOWAM-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.37
Rot. Bonds7

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18112340) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18112340
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C18H22N4O4/c1-4-11-22-17(24)10-9-15(20-22)18(25)21(2)12-16(23)19-13-5-7-14(26-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,19,23)
InChIKeySLWVLFOEYSOWAM-UHFFFAOYSA-N
XLogP1.37
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247965
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080248
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38661688
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247883
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide (CID 18112340) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)ccc1=O.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is SLWVLFOEYSOWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-4-11-22-17(24)10-9-15(20-22)18(25)21(2)12-16(23)19-13-5-7-14(26-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18112340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).