N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

C19H19N5O6 — CID 6873493

IUPACN-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(OC)c1C
InChIInChI=1S/C19H19N5O6/c1-12-16(28-2)6-4-13(18(12)29-3)8-20-22-19(25)17-7-5-15(30-17)11-23-10-14(9-21-23)24(26)27/h4-10H,11H2,1-3H3,(H,22,25)/b20-8+
InChIKeyCFDYGLGRMUSMTJ-DNTJNYDQSA-N
MW413.39 g/mol
LogP2.52
Rot. Bonds8

About N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 6873493) has the molecular formula C19H19N5O6 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID6873493
Molecular FormulaC19H19N5O6
Molecular Weight413.39 g/mol
Exact Mass413.13
IUPAC NameN-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(OC)c1C
InChIInChI=1S/C19H19N5O6/c1-12-16(28-2)6-4-13(18(12)29-3)8-20-22-19(25)17-7-5-15(30-17)11-23-10-14(9-21-23)24(26)27/h4-10H,11H2,1-3H3,(H,22,25)/b20-8+
InChIKeyCFDYGLGRMUSMTJ-DNTJNYDQSA-N
XLogP2.52
TPSA134.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

5-[(4-nitropyrazol-1-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 4319123
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(4-propoxybenzylidene)-2-furohydrazide
CID 6873375
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 6874434
N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 6874448
N'-(2,5-dimethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide
CID 6874503
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 6874801
N-(3-{N-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]ethanehydrazonoyl}phenyl)-2-methylpropanamide
CID 9617740
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(2-methyl-3-phenyl-2-propenylidene)-2-furohydrazide
CID 6874667
N'-((1E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylene)-2-furohydrazide
CID 9628894
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N-(2-methylphenyl)-2-furamide
CID 1225356
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(4-methylbenzylidene)-2-furohydrazide
CID 6873507
N-[(E)-(2-ethoxyphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 9617653

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (CID 6873493) is N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is COc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(OC)c1C.
What is the InChIKey of N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is CFDYGLGRMUSMTJ-DNTJNYDQSA-N. The full InChI is InChI=1S/C19H19N5O6/c1-12-16(28-2)6-4-13(18(12)29-3)8-20-22-19(25)17-7-5-15(30-17)11-23-10-14(9-21-23)24(26)27/h4-10H,11H2,1-3H3,(H,22,25)/b20-8+.
What are the key properties of N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 413.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 6873493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).