N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide

C16H19BrN4O — CID 109111125

IUPACN-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NCC(C)C)nn2)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-10(2)9-18-15-7-6-14(20-21-15)16(22)19-12-4-5-13(17)11(3)8-12/h4-8,10H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyRMFFKDKTHFRTDA-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.87
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide

N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (PubChem CID 109111125) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
PubChem CID109111125
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NCC(C)C)nn2)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-10(2)9-18-15-7-6-14(20-21-15)16(22)19-12-4-5-13(17)11(3)8-12/h4-8,10H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyRMFFKDKTHFRTDA-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181294
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (CID 109111125) is N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(NCC(C)C)nn2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The InChIKey is RMFFKDKTHFRTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10(2)9-18-15-7-6-14(20-21-15)16(22)19-12-4-5-13(17)11(3)8-12/h4-8,10H,9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).