N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide

C18H18N6O7 — CID 4648875

IUPACN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(c1ccncc1)N1CCOCC1
InChIInChI=1S/C18H18N6O7/c25-17-13(9-14(23(27)28)10-15(17)24(29)30)11-20-21-18(26)16(12-1-3-19-4-2-12)22-5-7-31-8-6-22/h1-4,9-11,16,25H,5-8H2,(H,21,26)
InChIKeyRQILUSRZDMXLFA-UHFFFAOYSA-N
MW430.38 g/mol
LogP1.13
Rot. Bonds7

About N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide (PubChem CID 4648875) has the molecular formula C18H18N6O7 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
PubChem CID4648875
Molecular FormulaC18H18N6O7
Molecular Weight430.38 g/mol
Exact Mass430.12
IUPAC NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(c1ccncc1)N1CCOCC1
InChIInChI=1S/C18H18N6O7/c25-17-13(9-14(23(27)28)10-15(17)24(29)30)11-20-21-18(26)16(12-1-3-19-4-2-12)22-5-7-31-8-6-22/h1-4,9-11,16,25H,5-8H2,(H,21,26)
InChIKeyRQILUSRZDMXLFA-UHFFFAOYSA-N
XLogP1.13
TPSA173.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide
CID 135615493
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
(2S)-N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 135877850
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 5072788
(2S)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 137206870
N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 3939730
2-morpholin-4-yl-2-pyridin-4-ylacetohydrazide
CID 46318243
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135933657
N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 136909108
1-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-phenylurea
CID 135403951

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide (CID 4648875) is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide is O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(c1ccncc1)N1CCOCC1.
What is the InChIKey of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide?
The InChIKey is RQILUSRZDMXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O7/c25-17-13(9-14(23(27)28)10-15(17)24(29)30)11-20-21-18(26)16(12-1-3-19-4-2-12)22-5-7-31-8-6-22/h1-4,9-11,16,25H,5-8H2,(H,21,26).
What are the key properties of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide?
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide has a molecular weight of 430.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 4648875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).