N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

C16H18ClN3O3 — CID 99790816

IUPACN-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1nc(OC)ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3/c1-3-13(11-4-6-12(17)7-5-11)18-14(21)10-20-16(22)9-8-15(19-20)23-2/h4-9,13H,3,10H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyHLKWLFJWFGNZML-CYBMUJFWSA-N
MW335.79 g/mol
LogP2.17
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (PubChem CID 99790816) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
PubChem CID99790816
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1nc(OC)ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3/c1-3-13(11-4-6-12(17)7-5-11)18-14(21)10-20-16(22)9-8-15(19-20)23-2/h4-9,13H,3,10H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyHLKWLFJWFGNZML-CYBMUJFWSA-N
XLogP2.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061492
N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 86890336
N-[1-(4-chlorophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24600817
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061449
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166241304
N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
(2S,3S)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 95394867
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8862090
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
N-[1-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18158666

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (CID 99790816) is N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is CC[C@@H](NC(=O)Cn1nc(OC)ccc1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The InChIKey is HLKWLFJWFGNZML-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-3-13(11-4-6-12(17)7-5-11)18-14(21)10-20-16(22)9-8-15(19-20)23-2/h4-9,13H,3,10H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide has a molecular weight of 335.79 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 99790816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).