(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide

C14H11N7O3 — CID 172979376

IUPAC(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11N7O3/c15-8-11(13(16)17)20-19-9-3-1-4-10(7-9)24-14-12(21(22)23)5-2-6-18-14/h1-7,19H,(H3,16,17)/b20-11+
InChIKeyRYRXOGCEGHRQIZ-RGVLZGJSSA-N
MW325.29 g/mol
LogP2.01
Rot. Bonds6

About (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide (PubChem CID 172979376) has the molecular formula C14H11N7O3 and a molecular weight of 325.29 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide
PubChem CID172979376
Molecular FormulaC14H11N7O3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11N7O3/c15-8-11(13(16)17)20-19-9-3-1-4-10(7-9)24-14-12(21(22)23)5-2-6-18-14/h1-7,19H,(H3,16,17)/b20-11+
InChIKeyRYRXOGCEGHRQIZ-RGVLZGJSSA-N
XLogP2.01
TPSA163.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'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

(1Z)-2-amino-2-imino-N-(4-methyl-3-nitroanilino)ethanimidoyl cyanide
CID 172931624
(1Z)-2-amino-2-imino-N-(2-methyl-6-nitroanilino)ethanimidoyl cyanide
CID 172931618
(1Z)-2-amino-2-imino-N-(2-iodo-6-nitroanilino)ethanimidoyl cyanide
CID 172978847
(1Z)-2-amino-N-[2-(bromomethyl)-3-nitroanilino]-2-iminoethanimidoyl cyanide
CID 172980432
methyl N-cyano-N'-[3-[(3-nitro-2-pyridinyl)oxy]phenyl]carbamimidothioate
CID 169363837
(1Z)-2-amino-N-[4-[(2-carbamoyl-4-pyridinyl)oxy]anilino]-2-iminoethanimidoyl cyanide
CID 172979296
(1Z)-2-amino-2-imino-N-[4-[3-(methylcarbamoyl)phenoxy]anilino]ethanimidoyl cyanide
CID 172979156
(1Z)-2-amino-N-(5-bromo-2-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172931772
propan-2-yl 3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]benzoate
CID 172931870
(1Z)-2-amino-N-[3-(1H-imidazol-2-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172980221
(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide
CID 172976707
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide (CID 172979376) is (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cccc(Oc2ncccc2[N+](=O)[O-])c1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide?
The InChIKey is RYRXOGCEGHRQIZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C14H11N7O3/c15-8-11(13(16)17)20-19-9-3-1-4-10(7-9)24-14-12(21(22)23)5-2-6-18-14/h1-7,19H,(H3,16,17)/b20-11+.
What are the key properties of (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide has a molecular weight of 325.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172979376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).