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

C18H19N3O2 — CID 56683862

IUPAC(NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccc2)n1
InChIInChI=1S/C18H19N3O2/c1-14-9-10-16(17(20-22)21-11-5-6-12-21)18(19-14)23-13-15-7-3-2-4-8-15/h2-10,22H,11-13H2,1H3/b20-17-
InChIKeyGDOMEJDKCZQXEE-JZJYNLBNSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds4

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

(NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 56683862) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine
PubChem CID56683862
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccc2)n1
InChIInChI=1S/C18H19N3O2/c1-14-9-10-16(17(20-22)21-11-5-6-12-21)18(19-14)23-13-15-7-3-2-4-8-15/h2-10,22H,11-13H2,1H3/b20-17-
InChIKeyGDOMEJDKCZQXEE-JZJYNLBNSA-N
XLogP2.98
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
CID 56679498
(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
CID 56679287
2-[(4-bromophenyl)methoxy]-6-methylpyridine-3-carboxylic acid
CID 82825592
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline
CID 170129561
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
2-methyl-5-phenylmethoxypyrazine
CID 129054090
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
2-methyl-6-phenylmethoxyquinoline
CID 82580854
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-N,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
CID 56665295
N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide
CID 56682266

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine (CID 56683862) is (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine is Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccc2)n1.
What is the InChIKey of (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is GDOMEJDKCZQXEE-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14-9-10-16(17(20-22)21-11-5-6-12-21)18(19-14)23-13-15-7-3-2-4-8-15/h2-10,22H,11-13H2,1H3/b20-17-.
What are the key properties of (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 309.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 56683862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).