N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide

C18H17N3O2S — CID 56793656

IUPACN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H17N3O2S/c1-12-9-10-24-17(12)15(11-13-5-3-2-4-6-13)19-18(23)14-7-8-16(22)21-20-14/h2-10,15H,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyCSJHKYPKELTLCN-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 56793656) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID56793656
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H17N3O2S/c1-12-9-10-24-17(12)15(11-13-5-3-2-4-6-13)19-18(23)14-7-8-16(22)21-20-14/h2-10,15H,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyCSJHKYPKELTLCN-UHFFFAOYSA-N
XLogP2.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
CID 166294961
(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
CID 119328368
N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide
CID 133339940
4-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673728
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride
CID 119792182
6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
CID 95153673
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992
(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
CID 120793910
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38979661

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 56793656) is N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccsc1C(Cc1ccccc1)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CSJHKYPKELTLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-9-10-24-17(12)15(11-13-5-3-2-4-6-13)19-18(23)14-7-8-16(22)21-20-14/h2-10,15H,11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 56793656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).