(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide

C22H23N3O2 — CID 8670486

IUPAC(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
SMILESCCOc1ccc(-c2cccc(NC(=O)[C@@H](CC)c3ccccc3)c2)nn1
InChIInChI=1S/C22H23N3O2/c1-3-19(16-9-6-5-7-10-16)22(26)23-18-12-8-11-17(15-18)20-13-14-21(25-24-20)27-4-2/h5-15,19H,3-4H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyQEXQENPDURLYLT-IBGZPJMESA-N
MW361.45 g/mol
LogP4.67
Rot. Bonds7

About (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide

(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide (PubChem CID 8670486) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
PubChem CID8670486
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
SMILESCCOc1ccc(-c2cccc(NC(=O)[C@@H](CC)c3ccccc3)c2)nn1
InChIInChI=1S/C22H23N3O2/c1-3-19(16-9-6-5-7-10-16)22(26)23-18-12-8-11-17(15-18)20-13-14-21(25-24-20)27-4-2/h5-15,19H,3-4H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyQEXQENPDURLYLT-IBGZPJMESA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670451
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7593638
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
CID 41089435
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide
CID 7593632
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 30677618
(2R)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenylbutanamide
CID 7080187

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide (CID 8670486) is (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide is CCOc1ccc(-c2cccc(NC(=O)[C@@H](CC)c3ccccc3)c2)nn1.
What is the InChIKey of (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
The InChIKey is QEXQENPDURLYLT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-19(16-9-6-5-7-10-16)22(26)23-18-12-8-11-17(15-18)20-13-14-21(25-24-20)27-4-2/h5-15,19H,3-4H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide has a molecular weight of 361.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 8670486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).