N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide

C17H23N5O — CID 109115410

IUPACN-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)NCCN(C)C)nn2)c1
InChIInChI=1S/C17H23N5O/c1-12-9-13(2)11-14(10-12)19-16-6-5-15(20-21-16)17(23)18-7-8-22(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,18,23)(H,19,21)
InChIKeyJFFNKFFBMRDWQX-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109115410) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109115410
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)NCCN(C)C)nn2)c1
InChIInChI=1S/C17H23N5O/c1-12-9-13(2)11-14(10-12)19-16-6-5-15(20-21-16)17(23)18-7-8-22(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,18,23)(H,19,21)
InChIKeyJFFNKFFBMRDWQX-UHFFFAOYSA-N
XLogP2.13
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
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
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109116094
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide (CID 109115410) is N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide is Cc1cc(C)cc(Nc2ccc(C(=O)NCCN(C)C)nn2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is JFFNKFFBMRDWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-9-13(2)11-14(10-12)19-16-6-5-15(20-21-16)17(23)18-7-8-22(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,18,23)(H,19,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109115410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).