6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

C16H20BrN5O — CID 109115475

IUPAC6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCN(C)C)nn2)c(Br)c1
InChIInChI=1S/C16H20BrN5O/c1-11-4-5-13(12(17)10-11)19-15-7-6-14(20-21-15)16(23)18-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyAEULAEXTVXSOSL-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.58
Rot. Bonds6

About 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 109115475) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
PubChem CID109115475
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCN(C)C)nn2)c(Br)c1
InChIInChI=1S/C16H20BrN5O/c1-11-4-5-13(12(17)10-11)19-15-7-6-14(20-21-15)16(23)18-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyAEULAEXTVXSOSL-UHFFFAOYSA-N
XLogP2.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109115410
N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115295
N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115922
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207857
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115423
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (CID 109115475) is 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCN(C)C)nn2)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is AEULAEXTVXSOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-11-4-5-13(12(17)10-11)19-15-7-6-14(20-21-15)16(23)18-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109115475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).