6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

C17H23N5O3 — CID 109115449

IUPAC6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCN(C)C)nn2)cc1OC
InChIInChI=1S/C17H23N5O3/c1-22(2)10-9-18-17(23)13-6-8-16(21-20-13)19-12-5-7-14(24-3)15(11-12)25-4/h5-8,11H,9-10H2,1-4H3,(H,18,23)(H,19,21)
InChIKeyPLUKWGRTXDGYLU-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.53
Rot. Bonds8

About 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 109115449) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
PubChem CID109115449
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCN(C)C)nn2)cc1OC
InChIInChI=1S/C17H23N5O3/c1-22(2)10-9-18-17(23)13-6-8-16(21-20-13)19-12-5-7-14(24-3)15(11-12)25-4/h5-8,11H,9-10H2,1-4H3,(H,18,23)(H,19,21)
InChIKeyPLUKWGRTXDGYLU-UHFFFAOYSA-N
XLogP1.53
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109115410
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
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109116094
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (CID 109115449) is 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)NCCN(C)C)nn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is PLUKWGRTXDGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-22(2)10-9-18-17(23)13-6-8-16(21-20-13)19-12-5-7-14(24-3)15(11-12)25-4/h5-8,11H,9-10H2,1-4H3,(H,18,23)(H,19,21).
What are the key properties of 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109115449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).