N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide

C22H20N4O5 — CID 6867570

IUPACN-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C22H20N4O5/c1-15-10-19(6-7-20(15)26(28)29)31-14-18-11-16(5-8-21(18)30-2)12-24-25-22(27)17-4-3-9-23-13-17/h3-13H,14H2,1-2H3,(H,25,27)/b24-12+
InChIKeyLGMNKWQNPQZRHW-WYMPLXKRSA-N
MW420.43 g/mol
LogP3.65
Rot. Bonds8

About N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6867570) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID6867570
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C22H20N4O5/c1-15-10-19(6-7-20(15)26(28)29)31-14-18-11-16(5-8-21(18)30-2)12-24-25-22(27)17-4-3-9-23-13-17/h3-13H,14H2,1-2H3,(H,25,27)/b24-12+
InChIKeyLGMNKWQNPQZRHW-WYMPLXKRSA-N
XLogP3.65
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.65
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)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]benzamide
CID 6163853
N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6874430
1-ethyl-3-[(Z)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]thiourea
CID 5499334
4-amino-3,5,6-trichloro-N-[[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-2-carboxamide
CID 1417305
2-[[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593046
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247
4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzaldehyde
CID 590887
(E)-3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1-(3-methylphenyl)prop-2-en-1-one
CID 19570878
N-[(E)-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 5335969
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[(E)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 6905897
N-[(E)-[3-methoxy-4-[2-(3-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 126071863

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide (CID 6867570) is N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide is COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is LGMNKWQNPQZRHW-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-15-10-19(6-7-20(15)26(28)29)31-14-18-11-16(5-8-21(18)30-2)12-24-25-22(27)17-4-3-9-23-13-17/h3-13H,14H2,1-2H3,(H,25,27)/b24-12+.
What are the key properties of N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6867570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).