N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine

C11H11N3O3 — CID 113234160

IUPACN-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCc1ccoc1
InChIInChI=1S/C11H11N3O3/c1-8-4-10(14(15)16)6-13-11(8)12-5-9-2-3-17-7-9/h2-4,6-7H,5H2,1H3,(H,12,13)
InChIKeyYTZDCDYKLKYDBZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.50
Rot. Bonds4

About N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine

N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine (PubChem CID 113234160) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
PubChem CID113234160
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCc1ccoc1
InChIInChI=1S/C11H11N3O3/c1-8-4-10(14(15)16)6-13-11(8)12-5-9-2-3-17-7-9/h2-4,6-7H,5H2,1H3,(H,12,13)
InChIKeyYTZDCDYKLKYDBZ-UHFFFAOYSA-N
XLogP2.50
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
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 N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine 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

3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
N-[[4-(difluoromethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 133474672
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 55081127
N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 62950842
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
3-methyl-5-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133380091
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133443456
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133323722

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine (CID 113234160) is N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine?
The InChIKey is YTZDCDYKLKYDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-8-4-10(14(15)16)6-13-11(8)12-5-9-2-3-17-7-9/h2-4,6-7H,5H2,1H3,(H,12,13).
What are the key properties of N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine?
N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 113234160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).