N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide

C12H14N4O3 — CID 6372774

IUPACN-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide
SMILESO=C(N/N=C1\CCCCC1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C12H14N4O3/c17-12(9-5-7-13-8-6-9)15-14-10-3-1-2-4-11(10)16(18)19/h5-8,11H,1-4H2,(H,15,17)/b14-10+
InChIKeyNKXJPYXGDPYKMT-GXDHUFHOSA-N
MW262.27 g/mol
LogP1.39
Rot. Bonds3

About N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide

N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide (PubChem CID 6372774) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide
PubChem CID6372774
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide
SMILESO=C(N/N=C1\CCCCC1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C12H14N4O3/c17-12(9-5-7-13-8-6-9)15-14-10-3-1-2-4-11(10)16(18)19/h5-8,11H,1-4H2,(H,15,17)/b14-10+
InChIKeyNKXJPYXGDPYKMT-GXDHUFHOSA-N
XLogP1.39
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide
CID 1280746
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide
CID 5418618
[(1S,3R,3aR,4E,6aR)-3-benzoyloxy-4-(pyridine-4-carbonylhydrazinylidene)-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl] benzoate
CID 155556561
N-[(E)-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 135445084
N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid
CID 139196016
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-chlorobenzamide
CID 9060188
N'-(cyclohexanecarbonyl)pyridine-4-carbohydrazide
CID 782647
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide (CID 6372774) is N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide is O=C(N/N=C1\CCCCC1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide?
The InChIKey is NKXJPYXGDPYKMT-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-12(9-5-7-13-8-6-9)15-14-10-3-1-2-4-11(10)16(18)19/h5-8,11H,1-4H2,(H,15,17)/b14-10+.
What are the key properties of N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide?
N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 6372774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).