(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile

C12H14N4O — CID 59504596

IUPAC(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile
SMILESN#C/C=C(\N)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C12H14N4O/c13-5-4-10(14)11-2-1-3-12(15-11)16-6-8-17-9-7-16/h1-4H,6-9,14H2/b10-4-
InChIKeyBJDQNQNXDWBZDU-WMZJFQQLSA-N
MW230.27 g/mol
LogP0.74
Rot. Bonds2

About (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile

(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile (PubChem CID 59504596) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile
PubChem CID59504596
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile
SMILESN#C/C=C(\N)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C12H14N4O/c13-5-4-10(14)11-2-1-3-12(15-11)16-6-8-17-9-7-16/h1-4H,6-9,14H2/b10-4-
InChIKeyBJDQNQNXDWBZDU-WMZJFQQLSA-N
XLogP0.74
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile (CID 59504596) is (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile is N#C/C=C(\N)c1cccc(N2CCOCC2)n1.
What is the InChIKey of (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile?
The InChIKey is BJDQNQNXDWBZDU-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H14N4O/c13-5-4-10(14)11-2-1-3-12(15-11)16-6-8-17-9-7-16/h1-4H,6-9,14H2/b10-4-.
What are the key properties of (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile?
(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile has a molecular weight of 230.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 59504596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).