(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine

C17H22N4O2 — CID 56672864

IUPAC(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1nccn1/C(=N\O)c1cccnc1OCC1CCCCC1
InChIInChI=1S/C17H22N4O2/c1-13-18-10-11-21(13)16(20-22)15-8-5-9-19-17(15)23-12-14-6-3-2-4-7-14/h5,8-11,14,22H,2-4,6-7,12H2,1H3/b20-16-
InChIKeyNUXWSJJDKHBJAW-SILNSSARSA-N
MW314.39 g/mol
LogP3.23
Rot. Bonds4

About (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56672864) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56672864
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1nccn1/C(=N\O)c1cccnc1OCC1CCCCC1
InChIInChI=1S/C17H22N4O2/c1-13-18-10-11-21(13)16(20-22)15-8-5-9-19-17(15)23-12-14-6-3-2-4-7-14/h5,8-11,14,22H,2-4,6-7,12H2,1H3/b20-16-
InChIKeyNUXWSJJDKHBJAW-SILNSSARSA-N
XLogP3.23
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.23
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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Related Compounds

2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
2-Hexyloxy-5-imidazol-1-yl-pyridine
CID 44341439
Dimethyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9839643
Dibutyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9865378
{3-[4-(8-Methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-dipropyl-amine
CID 9947283
Dibutyl-{3-[4-(3,8-dimethyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 10179589
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
2-methoxy-5-(3-methyl-5-(4-(o-tolyloxy)piperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 11625088
5-Imidazol-1-ylmethyl-2-(2-methoxy-phenyl)pyridine
CID 44456188
6-[[5-(4-fluorophenyl)-2-pyridyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50914526

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56672864) is (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is Cc1nccn1/C(=N\O)c1cccnc1OCC1CCCCC1.
What is the InChIKey of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is NUXWSJJDKHBJAW-SILNSSARSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-18-10-11-21(13)16(20-22)15-8-5-9-19-17(15)23-12-14-6-3-2-4-7-14/h5,8-11,14,22H,2-4,6-7,12H2,1H3/b20-16-.
What are the key properties of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 314.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56672864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).