ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate

C19H23N5O3 — CID 109123868

IUPACethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3C)nn2)CC1
InChIInChI=1S/C19H23N5O3/c1-3-27-19(26)24-12-10-23(11-13-24)18(25)16-8-9-17(22-21-16)20-15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3,(H,20,22)
InChIKeyRIOMSFPXYKQEKS-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.44
Rot. Bonds4

About ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 109123868) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
PubChem CID109123868
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Nameethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3C)nn2)CC1
InChIInChI=1S/C19H23N5O3/c1-3-27-19(26)24-12-10-23(11-13-24)18(25)16-8-9-17(22-21-16)20-15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3,(H,20,22)
InChIKeyRIOMSFPXYKQEKS-UHFFFAOYSA-N
XLogP2.44
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123887
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
ethyl 4-[[6-(2,3-dimethylanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123786
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
ethyl 4-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956941
1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117277
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-[6-(2,3-dimethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160323
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate (CID 109123868) is ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3C)nn2)CC1.
What is the InChIKey of ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is RIOMSFPXYKQEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-3-27-19(26)24-12-10-23(11-13-24)18(25)16-8-9-17(22-21-16)20-15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 369.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109123868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).