N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide

C23H25N5O — CID 109128101

IUPACN-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)nn1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-2-28(20-8-4-3-5-9-20)23(29)21-14-15-22(26-25-21)24-18-10-12-19(13-11-18)27-16-6-7-17-27/h3-5,8-15H,2,6-7,16-17H2,1H3,(H,24,26)
InChIKeyUYJROQZSNXRVAG-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.49
Rot. Bonds6

About N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide

N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide (PubChem CID 109128101) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
PubChem CID109128101
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)nn1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-2-28(20-8-4-3-5-9-20)23(29)21-14-15-22(26-25-21)24-18-10-12-19(13-11-18)27-16-6-7-17-27/h3-5,8-15H,2,6-7,16-17H2,1H3,(H,24,26)
InChIKeyUYJROQZSNXRVAG-UHFFFAOYSA-N
XLogP4.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
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-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109128102
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109289326
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide (CID 109128101) is N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide is CCN(C(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)nn1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
The InChIKey is UYJROQZSNXRVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-2-28(20-8-4-3-5-9-20)23(29)21-14-15-22(26-25-21)24-18-10-12-19(13-11-18)27-16-6-7-17-27/h3-5,8-15H,2,6-7,16-17H2,1H3,(H,24,26).
What are the key properties of N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).