(NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine

C17H18N4O2 — CID 56661941

IUPAC(NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccn2)n1
InChIInChI=1S/C17H18N4O2/c1-13-7-8-15(16(20-22)21-10-4-5-11-21)17(19-13)23-12-14-6-2-3-9-18-14/h2-9,22H,10-12H2,1H3/b20-16-
InChIKeyVTZVVWHHCHXJLA-SILNSSARSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds4

About (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56661941) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56661941
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccn2)n1
InChIInChI=1S/C17H18N4O2/c1-13-7-8-15(16(20-22)21-10-4-5-11-21)17(19-13)23-12-14-6-2-3-9-18-14/h2-9,22H,10-12H2,1H3/b20-16-
InChIKeyVTZVVWHHCHXJLA-SILNSSARSA-N
XLogP2.37
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56661941) is (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine is Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccn2)n1.
What is the InChIKey of (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is VTZVVWHHCHXJLA-SILNSSARSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-7-8-15(16(20-22)21-10-4-5-11-21)17(19-13)23-12-14-6-2-3-9-18-14/h2-9,22H,10-12H2,1H3/b20-16-.
What are the key properties of (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 310.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,5-dihydropyrrol-1-yl-[6-methyl-2-(pyridin-2-ylmethoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56661941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).