N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide

C21H23N5O2 — CID 113042856

IUPACN-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)CCOc2ccccc2)nn1
InChIInChI=1S/C21H23N5O2/c1-26(15-11-17-9-13-22-14-10-17)20-8-7-19(24-25-20)23-21(27)12-16-28-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,23,24,27)
InChIKeyVOXJXEPJYZBQBM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.96
Rot. Bonds9

About N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide

N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide (PubChem CID 113042856) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide
PubChem CID113042856
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)CCOc2ccccc2)nn1
InChIInChI=1S/C21H23N5O2/c1-26(15-11-17-9-13-22-14-10-17)20-8-7-19(24-25-20)23-21(27)12-16-28-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,23,24,27)
InChIKeyVOXJXEPJYZBQBM-UHFFFAOYSA-N
XLogP2.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042844
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
CID 113044277
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042862
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
CID 113012923
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771

Frequently Asked Questions

What is the IUPAC name of N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide (CID 113042856) is N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide is CN(CCc1ccncc1)c1ccc(NC(=O)CCOc2ccccc2)nn1.
What is the InChIKey of N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide?
The InChIKey is VOXJXEPJYZBQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(15-11-17-9-13-22-14-10-17)20-8-7-19(24-25-20)23-21(27)12-16-28-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,23,24,27).
What are the key properties of N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide?
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide has a molecular weight of 377.45 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 113042856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).