(NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

C13H13N3O2S — CID 135474257

IUPAC(NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(-c2ccccn2)nc(/C=N\O)c1SC
InChIInChI=1S/C13H13N3O2S/c1-18-12-7-10(9-5-3-4-6-14-9)16-11(8-15-17)13(12)19-2/h3-8,17H,1-2H3/b15-8-
InChIKeyNQGMIPUYCWIEAW-NVNXTCNLSA-N
MW275.33 g/mol
LogP2.68
Rot. Bonds4

About (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

(NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 135474257) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID135474257
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(-c2ccccn2)nc(/C=N\O)c1SC
InChIInChI=1S/C13H13N3O2S/c1-18-12-7-10(9-5-3-4-6-14-9)16-11(8-15-17)13(12)19-2/h3-8,17H,1-2H3/b15-8-
InChIKeyNQGMIPUYCWIEAW-NVNXTCNLSA-N
XLogP2.68
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Caerulomycin A
CID 135514797
4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
Caeurolomycin A
CID 159917
Caerulomycin
CID 135478684
Caerulomycin C
CID 135503530
Caerulomycinonitrile
CID 13586798
Caerulomycin F
CID 25192237
Collismycin A
CID 135482271
SF2738C
CID 10084065
SF-2738-D; Collismycin D
CID 10377764
(E)-N-methoxy-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanimine
CID 16128661
Coprismycin A
CID 136099226

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (CID 135474257) is (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is COc1cc(-c2ccccn2)nc(/C=N\O)c1SC.
What is the InChIKey of (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is NQGMIPUYCWIEAW-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-12-7-10(9-5-3-4-6-14-9)16-11(8-15-17)13(12)19-2/h3-8,17H,1-2H3/b15-8-.
What are the key properties of (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 275.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 135474257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).