N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide

C24H26N6O4 — CID 155424831

IUPACN-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide
SMILESC=NN(C)/C=C(\C)c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(=O)C4)C3=O)nc2)ccn1
InChIInChI=1S/C24H26N6O4/c1-16(15-29(3)25-2)20-12-18(7-10-26-20)34-19-4-5-21(27-14-19)28-23(33)30-11-9-24(22(30)32)8-6-17(31)13-24/h4-5,7,10,12,14-15H,2,6,8-9,11,13H2,1,3H3,(H,27,28,33)/b16-15+
InChIKeyWAALNJMWRNQUMD-FOCLMDBBSA-N
MW462.51 g/mol
LogP3.68
Rot. Bonds6

About N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide

N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide (PubChem CID 155424831) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide
PubChem CID155424831
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC NameN-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide
SMILESC=NN(C)/C=C(\C)c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(=O)C4)C3=O)nc2)ccn1
InChIInChI=1S/C24H26N6O4/c1-16(15-29(3)25-2)20-12-18(7-10-26-20)34-19-4-5-21(27-14-19)28-23(33)30-11-9-24(22(30)32)8-6-17(31)13-24/h4-5,7,10,12,14-15H,2,6,8-9,11,13H2,1,3H3,(H,27,28,33)/b16-15+
InChIKeyWAALNJMWRNQUMD-FOCLMDBBSA-N
XLogP3.68
TPSA117.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide (CID 155424831) is N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide is C=NN(C)/C=C(\C)c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(=O)C4)C3=O)nc2)ccn1.
What is the InChIKey of N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide?
The InChIKey is WAALNJMWRNQUMD-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-16(15-29(3)25-2)20-12-18(7-10-26-20)34-19-4-5-21(27-14-19)28-23(33)30-11-9-24(22(30)32)8-6-17(31)13-24/h4-5,7,10,12,14-15H,2,6,8-9,11,13H2,1,3H3,(H,27,28,33)/b16-15+.
What are the key properties of N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide?
N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 155424831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).