6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide

C18H24N4O2 — CID 109114288

IUPAC6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCCOC)nn1
InChIInChI=1S/C18H24N4O2/c1-3-22(14-15-8-5-4-6-9-15)17-11-10-16(20-21-17)18(23)19-12-7-13-24-2/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,19,23)
InChIKeyUCIFBHRPGSTAKM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds9

About 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide

6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide (PubChem CID 109114288) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
PubChem CID109114288
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCCOC)nn1
InChIInChI=1S/C18H24N4O2/c1-3-22(14-15-8-5-4-6-9-15)17-11-10-16(20-21-17)18(23)19-12-7-13-24-2/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,19,23)
InChIKeyUCIFBHRPGSTAKM-UHFFFAOYSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853212
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300297
3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide (CID 109114288) is 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide is CCN(Cc1ccccc1)c1ccc(C(=O)NCCCOC)nn1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The InChIKey is UCIFBHRPGSTAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-22(14-15-8-5-4-6-9-15)17-11-10-16(20-21-17)18(23)19-12-7-13-24-2/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,19,23).
What are the key properties of 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).