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

C21H21N3O2 — CID 8670451

IUPAC(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cccc(-c2ccc(OC)nn2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-3-18(15-8-5-4-6-9-15)21(25)22-17-11-7-10-16(14-17)19-12-13-20(26-2)24-23-19/h4-14,18H,3H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyKRMJKACVJMBNCU-SFHVURJKSA-N
MW347.42 g/mol
LogP4.28
Rot. Bonds6

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

(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide (PubChem CID 8670451) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
PubChem CID8670451
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cccc(-c2ccc(OC)nn2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-3-18(15-8-5-4-6-9-15)21(25)22-17-11-7-10-16(14-17)19-12-13-20(26-2)24-23-19/h4-14,18H,3H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyKRMJKACVJMBNCU-SFHVURJKSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
CID 43936471
(2R)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenylbutanamide
CID 7080187
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide (CID 8670451) is (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1cccc(-c2ccc(OC)nn2)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
The InChIKey is KRMJKACVJMBNCU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-18(15-8-5-4-6-9-15)21(25)22-17-11-7-10-16(14-17)19-12-13-20(26-2)24-23-19/h4-14,18H,3H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide?
(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide has a molecular weight of 347.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 8670451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).