(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide

C20H19N3O3 — CID 95303598

IUPAC(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
SMILESCO[C@@](C)(C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-20(26-2,15-8-4-3-5-9-15)19(25)21-16-10-6-7-14(13-16)17-11-12-18(24)23-22-17/h3-13H,1-2H3,(H,21,25)(H,23,24)/t20-/m1/s1
InChIKeyQCOQDPBBPLBWFI-HXUWFJFHSA-N
MW349.39 g/mol
LogP2.94
Rot. Bonds5

About (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide

(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide (PubChem CID 95303598) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
PubChem CID95303598
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
SMILESCO[C@@](C)(C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-20(26-2,15-8-4-3-5-9-15)19(25)21-16-10-6-7-14(13-16)17-11-12-18(24)23-22-17/h3-13H,1-2H3,(H,21,25)(H,23,24)/t20-/m1/s1
InChIKeyQCOQDPBBPLBWFI-HXUWFJFHSA-N
XLogP2.94
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
tert-butyl N-[4-methylsulfanyl-1-oxo-1-[3-(6-oxo-1H-pyridazin-3-yl)anilino]butan-2-yl]carbamate
CID 49034156
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide?
The IUPAC name of (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide (CID 95303598) is (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide is CO[C@@](C)(C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide?
The InChIKey is QCOQDPBBPLBWFI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-20(26-2,15-8-4-3-5-9-15)19(25)21-16-10-6-7-14(13-16)17-11-12-18(24)23-22-17/h3-13H,1-2H3,(H,21,25)(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide?
(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide has a molecular weight of 349.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide is sourced from PubChem (CID 95303598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).