N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide

C24H23N3O7 — CID 90290210

IUPACN-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C24H23N3O7/c1-31-19-9-7-15(5-6-16-12-20(32-2)23(34-4)21(13-16)33-3)11-18(19)26-24(28)17-8-10-22(25-14-17)27(29)30/h5-14H,1-4H3,(H,26,28)/b6-5-
InChIKeyRVHIKWHRBLRPBJ-WAYWQWQTSA-N
MW465.46 g/mol
LogP4.45
Rot. Bonds9

About N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide

N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide (PubChem CID 90290210) has the molecular formula C24H23N3O7 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide
PubChem CID90290210
Molecular FormulaC24H23N3O7
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC NameN-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C24H23N3O7/c1-31-19-9-7-15(5-6-16-12-20(32-2)23(34-4)21(13-16)33-3)11-18(19)26-24(28)17-8-10-22(25-14-17)27(29)30/h5-14H,1-4H3,(H,26,28)/b6-5-
InChIKeyRVHIKWHRBLRPBJ-WAYWQWQTSA-N
XLogP4.45
TPSA122.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
CID 51045015
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360292
N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide
CID 175347336
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154196778
(E)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 135360114
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide (CID 90290210) is N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide?
The InChIKey is RVHIKWHRBLRPBJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C24H23N3O7/c1-31-19-9-7-15(5-6-16-12-20(32-2)23(34-4)21(13-16)33-3)11-18(19)26-24(28)17-8-10-22(25-14-17)27(29)30/h5-14H,1-4H3,(H,26,28)/b6-5-.
What are the key properties of N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide?
N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide is sourced from PubChem (CID 90290210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).