(Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine

C11H16N4O3 — CID 22450522

IUPAC(Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
SMILESCN/C(=C/[N+](=O)[O-])N(C)Cc1ccc(OC)nc1
InChIInChI=1S/C11H16N4O3/c1-12-10(8-15(16)17)14(2)7-9-4-5-11(18-3)13-6-9/h4-6,8,12H,7H2,1-3H3/b10-8-
InChIKeyPJJNCJAHNZDJSZ-NTMALXAHSA-N
MW252.27 g/mol
LogP0.82
Rot. Bonds6

About (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine

(Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine (PubChem CID 22450522) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
PubChem CID22450522
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
SMILESCN/C(=C/[N+](=O)[O-])N(C)Cc1ccc(OC)nc1
InChIInChI=1S/C11H16N4O3/c1-12-10(8-15(16)17)14(2)7-9-4-5-11(18-3)13-6-9/h4-6,8,12H,7H2,1-3H3/b10-8-
InChIKeyPJJNCJAHNZDJSZ-NTMALXAHSA-N
XLogP0.82
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine with MolForge

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Related Compounds

N-[(6-bromo-3-pyridinyl)methyl]-N-[(E)-1-(methylamino)-2-nitroethenyl]formamide
CID 18649374
(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N-methyl-2-nitro-1-N'-(1,1,2,2,2-pentadeuterioethyl)ethene-1,1-diamine
CID 131709130
1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;ethanol
CID 175020975
N'-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 54359798
(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;2-dimethoxyphosphorylsulfanyl-N-methylacetamide
CID 87446492
2-methoxy-5-(2-nitroethenyl)pyridine
CID 67230839
1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 119124814
(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;(Z)-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-1-methylsulfanyl-2-nitroethenamine;ethanol;methanamine
CID 157449755
N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide
CID 129259339
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380109
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 19874084

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
The IUPAC name of (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine (CID 22450522) is (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine.
What is the SMILES notation for (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
The canonical SMILES for (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine is CN/C(=C/[N+](=O)[O-])N(C)Cc1ccc(OC)nc1.
What is the InChIKey of (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
The InChIKey is PJJNCJAHNZDJSZ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-12-10(8-15(16)17)14(2)7-9-4-5-11(18-3)13-6-9/h4-6,8,12H,7H2,1-3H3/b10-8-.
What are the key properties of (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
(Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine has a molecular weight of 252.27 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-[(6-methoxy-3-pyridinyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine is sourced from PubChem (CID 22450522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).