N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide

C14H10N4O5 — CID 5333683

IUPACN-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccncc1
InChIInChI=1S/C14H10N4O5/c19-14(10-1-3-15-4-2-10)17-16-7-9-5-11(18(20)21)13-12(6-9)22-8-23-13/h1-7H,8H2,(H,17,19)/b16-7+
InChIKeyHTQOZSORPAAVIS-FRKPEAEDSA-N
MW314.26 g/mol
LogP1.48
Rot. Bonds4

About N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 5333683) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID5333683
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC NameN-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccncc1
InChIInChI=1S/C14H10N4O5/c19-14(10-1-3-15-4-2-10)17-16-7-9-5-11(18(20)21)13-12(6-9)22-8-23-13/h1-7H,8H2,(H,17,19)/b16-7+
InChIKeyHTQOZSORPAAVIS-FRKPEAEDSA-N
XLogP1.48
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514737
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
3,5-dinitro-N-(pyridin-4-ylmethylideneamino)benzamide
CID 2185358
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3117013
N-[(4-bromo-3-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3755684
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide
CID 5367261
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 137180690
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-nitrobenzamide
CID 693965
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 6870476

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide (CID 5333683) is N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccncc1.
What is the InChIKey of N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is HTQOZSORPAAVIS-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-14(10-1-3-15-4-2-10)17-16-7-9-5-11(18(20)21)13-12(6-9)22-8-23-13/h1-7H,8H2,(H,17,19)/b16-7+.
What are the key properties of N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5333683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).