methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate

C15H18N4O3 — CID 142690405

IUPACmethyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate
SMILESCOC(=O)Cc1c(C)cnn(CCNc2cccnc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-11-9-18-19(15(21)13(11)8-14(20)22-2)7-6-17-12-4-3-5-16-10-12/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyQDHVMQWKFKHFDW-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.77
Rot. Bonds6

About methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate

methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate (PubChem CID 142690405) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate
PubChem CID142690405
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate
SMILESCOC(=O)Cc1c(C)cnn(CCNc2cccnc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-11-9-18-19(15(21)13(11)8-14(20)22-2)7-6-17-12-4-3-5-16-10-12/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyQDHVMQWKFKHFDW-UHFFFAOYSA-N
XLogP0.77
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate (CID 142690405) is methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate is COC(=O)Cc1c(C)cnn(CCNc2cccnc2)c1=O.
What is the InChIKey of methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate?
The InChIKey is QDHVMQWKFKHFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-9-18-19(15(21)13(11)8-14(20)22-2)7-6-17-12-4-3-5-16-10-12/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate?
methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate has a molecular weight of 302.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate is sourced from PubChem (CID 142690405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).