N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H18BrN3O3 — CID 31152937

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H18BrN3O3/c1-18(9-10-8-11(16)4-6-13(10)22-3)15(21)12-5-7-14(20)19(2)17-12/h4,6,8H,5,7,9H2,1-3H3
InChIKeyNXSAHGCIHKCTMD-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.02
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 31152937) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID31152937
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H18BrN3O3/c1-18(9-10-8-11(16)4-6-13(10)22-3)15(21)12-5-7-14(20)19(2)17-12/h4,6,8H,5,7,9H2,1-3H3
InChIKeyNXSAHGCIHKCTMD-UHFFFAOYSA-N
XLogP2.02
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 38259393
1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione
CID 2663779
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 31152479
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46679540
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
1-methyl-6-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24548648
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741521

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 31152937) is N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccc(Br)cc1CN(C)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NXSAHGCIHKCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-18(9-10-8-11(16)4-6-13(10)22-3)15(21)12-5-7-14(20)19(2)17-12/h4,6,8H,5,7,9H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 368.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 31152937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).