N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C14H13Cl2N3O3 — CID 111427471

IUPACN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)ccc1=O
InChIInChI=1S/C14H13Cl2N3O3/c1-19-13(21)3-2-11(18-19)14(22)17-7-12(20)8-4-9(15)6-10(16)5-8/h2-6,12,20H,7H2,1H3,(H,17,22)
InChIKeyNQLGCJNLCXJDLE-UHFFFAOYSA-N
MW342.18 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 111427471) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID111427471
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)ccc1=O
InChIInChI=1S/C14H13Cl2N3O3/c1-19-13(21)3-2-11(18-19)14(22)17-7-12(20)8-4-9(15)6-10(16)5-8/h2-6,12,20H,7H2,1H3,(H,17,22)
InChIKeyNQLGCJNLCXJDLE-UHFFFAOYSA-N
XLogP1.55
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51163217
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71998964
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(2-hydroxyethyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 60652659
N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71784674

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 111427471) is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)ccc1=O.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is NQLGCJNLCXJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-19-13(21)3-2-11(18-19)14(22)17-7-12(20)8-4-9(15)6-10(16)5-8/h2-6,12,20H,7H2,1H3,(H,17,22).
What are the key properties of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 342.18 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111427471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).