5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide

C19H25N5O5 — CID 47797811

IUPAC5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1
InChIInChI=1S/C19H25N5O5/c1-5-23(6-2)12-14-8-10-17(29-14)19(26)21-20-18(25)15-11-13(24(27)28)7-9-16(15)22(3)4/h7-11H,5-6,12H2,1-4H3,(H,20,25)(H,21,26)
InChIKeySSZJFOAHRGCBGN-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.17
Rot. Bonds8

About 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide

5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide (PubChem CID 47797811) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide
PubChem CID47797811
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1
InChIInChI=1S/C19H25N5O5/c1-5-23(6-2)12-14-8-10-17(29-14)19(26)21-20-18(25)15-11-13(24(27)28)7-9-16(15)22(3)4/h7-11H,5-6,12H2,1-4H3,(H,20,25)(H,21,26)
InChIKeySSZJFOAHRGCBGN-UHFFFAOYSA-N
XLogP2.17
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
2-(dimethylamino)-5-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9317650
2-(dimethylamino)-N-[(4-methylsulfonylphenyl)methyl]-5-nitrobenzamide
CID 60553619
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
2-(dimethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-nitrobenzamide
CID 34487244
2-(diethylamino)-N-hydroxy-5-nitrobenzamide
CID 91678196
2-(dimethylamino)-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9277234
2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
CID 78798198
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 55523239

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide?
The IUPAC name of 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide (CID 47797811) is 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide?
The canonical SMILES for 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1.
What is the InChIKey of 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide?
The InChIKey is SSZJFOAHRGCBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-5-23(6-2)12-14-8-10-17(29-14)19(26)21-20-18(25)15-11-13(24(27)28)7-9-16(15)22(3)4/h7-11H,5-6,12H2,1-4H3,(H,20,25)(H,21,26).
What are the key properties of 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide?
5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide has a molecular weight of 403.44 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide is sourced from PubChem (CID 47797811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).