N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine

C13H15N3O4 — CID 95787438

IUPACN-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
SMILESCOC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(C)o1
InChIInChI=1S/C13H15N3O4/c1-9-5-6-12(20-9)10(8-19-2)15-13-11(16(17)18)4-3-7-14-13/h3-7,10H,8H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyBILFTRFOIPAFCJ-SNVBAGLBSA-N
MW277.28 g/mol
LogP2.69
Rot. Bonds6

About N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine

N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine (PubChem CID 95787438) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
PubChem CID95787438
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
SMILESCOC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(C)o1
InChIInChI=1S/C13H15N3O4/c1-9-5-6-12(20-9)10(8-19-2)15-13-11(16(17)18)4-3-7-14-13/h3-7,10H,8H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyBILFTRFOIPAFCJ-SNVBAGLBSA-N
XLogP2.69
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-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

N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline
CID 133346825
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
CID 133336629
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine
CID 31882355
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794
N-methyl-3-nitropyridin-2-amine
CID 556349
N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
CID 133346802
3-[(3-nitro-2-pyridinyl)amino]butanamide
CID 115647564
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-nitropyridin-2-amine
CID 78961431
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
3-hydroxy-2-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 82025045
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
CID 95785017
N-[1-(1-benzofuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 46827983

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine (CID 95787438) is N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine is COC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(C)o1.
What is the InChIKey of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is BILFTRFOIPAFCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-9-5-6-12(20-9)10(8-19-2)15-13-11(16(17)18)4-3-7-14-13/h3-7,10H,8H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine?
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine has a molecular weight of 277.28 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 95787438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).