3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile

C17H21N5O — CID 133374052

IUPAC3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCOc1cc(CNc2nnc(CC)c(CC)c2C#N)ccn1
InChIInChI=1S/C17H21N5O/c1-4-13-14(10-18)17(22-21-15(13)5-2)20-11-12-7-8-19-16(9-12)23-6-3/h7-9H,4-6,11H2,1-3H3,(H,20,22)
InChIKeyPUVMNMSLFRPKJG-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.88
Rot. Bonds7

About 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile

3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133374052) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133374052
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCOc1cc(CNc2nnc(CC)c(CC)c2C#N)ccn1
InChIInChI=1S/C17H21N5O/c1-4-13-14(10-18)17(22-21-15(13)5-2)20-11-12-7-8-19-16(9-12)23-6-3/h7-9H,4-6,11H2,1-3H3,(H,20,22)
InChIKeyPUVMNMSLFRPKJG-UHFFFAOYSA-N
XLogP2.88
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile (CID 133374052) is 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile is CCOc1cc(CNc2nnc(CC)c(CC)c2C#N)ccn1.
What is the InChIKey of 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is PUVMNMSLFRPKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-4-13-14(10-18)17(22-21-15(13)5-2)20-11-12-7-8-19-16(9-12)23-6-3/h7-9H,4-6,11H2,1-3H3,(H,20,22).
What are the key properties of 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133374052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).