N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide

C21H19N3O5 — CID 86863451

IUPACN-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C21H19N3O5/c1-2-11-23(14-16-6-5-7-17(13-16)24(27)28)21(26)19-10-9-18(29-19)15-22-12-4-3-8-20(22)25/h2-10,12-13H,1,11,14-15H2
InChIKeyHMAUOXPRWMZEGG-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.23
Rot. Bonds8

About N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide

N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide (PubChem CID 86863451) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
PubChem CID86863451
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C21H19N3O5/c1-2-11-23(14-16-6-5-7-17(13-16)24(27)28)21(26)19-10-9-18(29-19)15-22-12-4-3-8-20(22)25/h2-10,12-13H,1,11,14-15H2
InChIKeyHMAUOXPRWMZEGG-UHFFFAOYSA-N
XLogP3.23
TPSA98.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[(3-nitrophenyl)methyl]-1-phenyl-N-prop-2-enyltriazole-4-carboxamide
CID 86863476
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
3-amino-N-[(3-nitrophenyl)methyl]-N-prop-2-enylpropanamide
CID 119308763
N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024539
N-benzyl-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38253946
N-(2-hydroxyethyl)-5-[(2-oxo-1-pyridinyl)methyl]-N-propylfuran-2-carboxamide
CID 110887129
2-(cyclopropylmethylamino)-N-[(3-nitrophenyl)methyl]-N-prop-2-enylacetamide
CID 119758126
6-amino-5-chloro-N-[(3-nitrophenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 71934368
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enylbenzamide
CID 42663050
N-[(3-nitrophenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 119308773
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-nitrophenyl)methyl]-N-prop-2-enylacetamide
CID 119758128

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide (CID 86863451) is N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide is C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is HMAUOXPRWMZEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-2-11-23(14-16-6-5-7-17(13-16)24(27)28)21(26)19-10-9-18(29-19)15-22-12-4-3-8-20(22)25/h2-10,12-13H,1,11,14-15H2.
What are the key properties of N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide?
N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 86863451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).