(NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine

C24H32N4O3 — CID 56665445

IUPAC(NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine
SMILESCCOc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-30-20-7-9-21(10-8-20)31-24-22(11-6-18(2)25-24)23(26-29)28-16-12-19(13-17-28)27-14-4-5-15-27/h6-11,19,29H,3-5,12-17H2,1-2H3/b26-23-
InChIKeyPVOAYCXYFSJQJS-RWEWTDSWSA-N
MW424.55 g/mol
LogP4.28
Rot. Bonds6

About (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine (PubChem CID 56665445) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine
PubChem CID56665445
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name(NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine
SMILESCCOc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-30-20-7-9-21(10-8-20)31-24-22(11-6-18(2)25-24)23(26-29)28-16-12-19(13-17-28)27-14-4-5-15-27/h6-11,19,29H,3-5,12-17H2,1-2H3/b26-23-
InChIKeyPVOAYCXYFSJQJS-RWEWTDSWSA-N
XLogP4.28
TPSA70.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine (CID 56665445) is (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine is CCOc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC(N3CCCC3)CC2)cc1.
What is the InChIKey of (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine?
The InChIKey is PVOAYCXYFSJQJS-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-30-20-7-9-21(10-8-20)31-24-22(11-6-18(2)25-24)23(26-29)28-16-12-19(13-17-28)27-14-4-5-15-27/h6-11,19,29H,3-5,12-17H2,1-2H3/b26-23-.
What are the key properties of (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine has a molecular weight of 424.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(4-ethoxyphenoxy)-6-methyl-3-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56665445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).