N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide

C17H17N5O4 — CID 3939730

IUPACN-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccncc1
InChIInChI=1S/C17H17N5O4/c23-17(13-3-5-18-6-4-13)20-19-12-14-11-15(22(24)25)1-2-16(14)21-7-9-26-10-8-21/h1-6,11-12H,7-10H2,(H,20,23)
InChIKeyDJBNPGJSKJRXLG-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.59
Rot. Bonds5

About N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide

N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 3939730) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID3939730
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccncc1
InChIInChI=1S/C17H17N5O4/c23-17(13-3-5-18-6-4-13)20-19-12-14-11-15(22(24)25)1-2-16(14)21-7-9-26-10-8-21/h1-6,11-12H,7-10H2,(H,20,23)
InChIKeyDJBNPGJSKJRXLG-UHFFFAOYSA-N
XLogP1.59
TPSA109.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 124551746
N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 5401153
N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657722
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]benzamide
CID 124539855
5-chloro-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126022068
1-ethyl-3-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]thiourea
CID 126377027
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]benzamide
CID 43880141
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
3-(4-methylphenyl)sulfanyl-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]propanamide
CID 126126118
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 94837768

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide (CID 3939730) is N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccncc1.
What is the InChIKey of N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is DJBNPGJSKJRXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c23-17(13-3-5-18-6-4-13)20-19-12-14-11-15(22(24)25)1-2-16(14)21-7-9-26-10-8-21/h1-6,11-12H,7-10H2,(H,20,23).
What are the key properties of N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 3939730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).