ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate

C17H18N4O3 — CID 109110175

IUPACethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NC2CC2)nn1
InChIInChI=1S/C17H18N4O3/c1-2-24-17(23)12-5-3-4-6-13(12)19-15-10-9-14(20-21-15)16(22)18-11-7-8-11/h3-6,9-11H,2,7-8H2,1H3,(H,18,22)(H,19,21)
InChIKeyRVNHNVFNWOORGK-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.29
Rot. Bonds6

About ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate

ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109110175) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
PubChem CID109110175
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NC2CC2)nn1
InChIInChI=1S/C17H18N4O3/c1-2-24-17(23)12-5-3-4-6-13(12)19-15-10-9-14(20-21-15)16(22)18-11-7-8-11/h3-6,9-11H,2,7-8H2,1H3,(H,18,22)(H,19,21)
InChIKeyRVNHNVFNWOORGK-UHFFFAOYSA-N
XLogP2.29
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339404
ethyl 2-[[5-(cycloheptylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287547
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128564
ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127291
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
ethyl 2-[[5-(cycloheptylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161084
ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109223741
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721
ethyl 4-[[6-(2,3-dimethylanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123786
ethyl 2-[[4-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109311613
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate (CID 109110175) is ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)NC2CC2)nn1.
What is the InChIKey of ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is RVNHNVFNWOORGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-24-17(23)12-5-3-4-6-13(12)19-15-10-9-14(20-21-15)16(22)18-11-7-8-11/h3-6,9-11H,2,7-8H2,1H3,(H,18,22)(H,19,21).
What are the key properties of ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 326.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109110175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).