N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide

C14H14N4O3 — CID 166539493

IUPACN,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide
SMILESCN(C)/C=N/c1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1
InChIInChI=1S/C14H14N4O3/c1-17(2)10-16-14-9-13(7-8-15-14)21-12-5-3-11(4-6-12)18(19)20/h3-10H,1-2H3/b16-10+
InChIKeyPFDZVLZGIOTTIY-MHWRWJLKSA-N
MW286.29 g/mol
LogP3.00
Rot. Bonds5

About N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide

N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide (PubChem CID 166539493) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide
PubChem CID166539493
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide
SMILESCN(C)/C=N/c1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1
InChIInChI=1S/C14H14N4O3/c1-17(2)10-16-14-9-13(7-8-15-14)21-12-5-3-11(4-6-12)18(19)20/h3-10H,1-2H3/b16-10+
InChIKeyPFDZVLZGIOTTIY-MHWRWJLKSA-N
XLogP3.00
TPSA80.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
tert-butyl N-[4-(4-nitrophenoxy)-2-pyridinyl]carbamate;ethane
CID 123844996
N-methyl-4-[4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]pyridine-2-carboxamide
CID 134154755
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386
N,N-dimethyl-N'-(5-nitro-1,3-benzothiazol-2-yl)methanimidamide
CID 121215620
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324
3-(dimethylamino)-2-[3-(4-nitrophenoxy)benzoyl]prop-2-enenitrile
CID 54372867
2-methyl-4-(4-nitrophenoxy)furo[2,3-b]pyridine
CID 58272180
amino-[4-(2-methyl-4-nitrophenoxy)-2-pyridinyl]carbamic acid
CID 174556870
2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
CID 139349383
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide (CID 166539493) is N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide is CN(C)/C=N/c1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1.
What is the InChIKey of N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide?
The InChIKey is PFDZVLZGIOTTIY-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17(2)10-16-14-9-13(7-8-15-14)21-12-5-3-11(4-6-12)18(19)20/h3-10H,1-2H3/b16-10+.
What are the key properties of N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide?
N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide has a molecular weight of 286.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide is sourced from PubChem (CID 166539493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).