4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide

C12H15N5O2 — CID 83097290

IUPAC4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1nnccc1C#N
InChIInChI=1S/C12H15N5O2/c1-2-14-12(18)10-8-19-6-5-17(10)11-9(7-13)3-4-15-16-11/h3-4,10H,2,5-6,8H2,1H3,(H,14,18)
InChIKeyKWFIXNBUKXWCCV-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.31
Rot. Bonds3

About 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide

4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83097290) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
PubChem CID83097290
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1nnccc1C#N
InChIInChI=1S/C12H15N5O2/c1-2-14-12(18)10-8-19-6-5-17(10)11-9(7-13)3-4-15-16-11/h3-4,10H,2,5-6,8H2,1H3,(H,14,18)
InChIKeyKWFIXNBUKXWCCV-UHFFFAOYSA-N
XLogP-0.31
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-cyanopyridazin-3-yl)morpholine-3-carboxamide
CID 83102200
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105968
1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
CID 80510373
4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
CID 116797240
4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83098273
4-(6-amino-5-ethylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83105787
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylmorpholine-3-carboxamide
CID 83107123

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide (CID 83097290) is 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1nnccc1C#N.
What is the InChIKey of 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is KWFIXNBUKXWCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-14-12(18)10-8-19-6-5-17(10)11-9(7-13)3-4-15-16-11/h3-4,10H,2,5-6,8H2,1H3,(H,14,18).
What are the key properties of 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide?
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83097290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).