N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide

C20H19N3O2 — CID 155557555

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnnc3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-14(17-4-3-5-19(12-17)25-2)23-20(24)16-8-6-15(7-9-16)18-10-11-21-22-13-18/h3-14H,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyFCHCWQPKXAUAEQ-CQSZACIVSA-N
MW333.39 g/mol
LogP3.64
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide (PubChem CID 155557555) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
PubChem CID155557555
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnnc3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-14(17-4-3-5-19(12-17)25-2)23-20(24)16-8-6-15(7-9-16)18-10-11-21-22-13-18/h3-14H,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyFCHCWQPKXAUAEQ-CQSZACIVSA-N
XLogP3.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85469696
N-Cyclopropyl-4-methyl-3-(1-(1-methylethoxy)-6-phthalazinyl)benzamide
CID 11848309
N-Cyclopropyl-4-methyl-3-(1-((R)-2,2,2-trifluoro-1-methylethoxy)-6-phthalazinyl)benzamide
CID 24854902
N-Cyclopropyl-4-methyl-3-(1-((S)-2,2,2-trifluoro-1-methylethoxy)-6-phthalazinyl)benzamide
CID 24854903
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354217
N-[(1S)-2-amino-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90385099
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118662999
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663021
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162670833
N-(3-methoxybenzyl)-4-(4-pyridinyl)benzamide
CID 11537005

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide (CID 155557555) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnnc3)cc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide?
The InChIKey is FCHCWQPKXAUAEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(17-4-3-5-19(12-17)25-2)23-20(24)16-8-6-15(7-9-16)18-10-11-21-22-13-18/h3-14H,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155557555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).