5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide

C14H15N3O4 — CID 104757744

IUPAC5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C14H15N3O4/c1-8-5-9(2)12(17(19)20)6-11(8)16-14(18)13-4-3-10(7-15)21-13/h3-6H,7,15H2,1-2H3,(H,16,18)
InChIKeyCEYFIPSLMFSMMI-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.52
Rot. Bonds4

About 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide

5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide (PubChem CID 104757744) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide
PubChem CID104757744
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C14H15N3O4/c1-8-5-9(2)12(17(19)20)6-11(8)16-14(18)13-4-3-10(7-15)21-13/h3-6H,7,15H2,1-2H3,(H,16,18)
InChIKeyCEYFIPSLMFSMMI-UHFFFAOYSA-N
XLogP2.52
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide 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

N-(2-bromo-4-methyl-5-nitrophenyl)-5-chlorofuran-2-carboxamide
CID 104696606
2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
CID 104757722
2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 104757812
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842
N-[(5-iodofuran-2-yl)methyl]-2,4-dimethyl-5-nitroaniline
CID 104757417
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
3-amino-N-(2,4-dimethyl-5-nitrophenyl)butanamide
CID 113449732
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957
5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 79351546
N-(1,3-dimethylpyrazol-4-yl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346174
5-[(3,4-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)furan-2-carboxamide
CID 19450848

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide (CID 104757744) is 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide?
The InChIKey is CEYFIPSLMFSMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-5-9(2)12(17(19)20)6-11(8)16-14(18)13-4-3-10(7-15)21-13/h3-6H,7,15H2,1-2H3,(H,16,18).
What are the key properties of 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide?
5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 104757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).