N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide

C21H23N5O — CID 109127978

IUPACN-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nn2)cc1
InChIInChI=1S/C21H23N5O/c1-4-15-5-7-16(8-6-15)22-20-14-13-19(24-25-20)21(27)23-17-9-11-18(12-10-17)26(2)3/h5-14H,4H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyMDHHRFLYWCVDER-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.10
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide

N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide (PubChem CID 109127978) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
PubChem CID109127978
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nn2)cc1
InChIInChI=1S/C21H23N5O/c1-4-15-5-7-16(8-6-15)22-20-14-13-19(24-25-20)21(27)23-17-9-11-18(12-10-17)26(2)3/h5-14H,4H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyMDHHRFLYWCVDER-UHFFFAOYSA-N
XLogP4.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635
6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109128021
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide (CID 109127978) is N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide is CCc1ccc(Nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nn2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide?
The InChIKey is MDHHRFLYWCVDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-15-5-7-16(8-6-15)22-20-14-13-19(24-25-20)21(27)23-17-9-11-18(12-10-17)26(2)3/h5-14H,4H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).