N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine

C13H15N3O4 — CID 133336629

IUPACN-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
SMILESCOCC(Nc1ncc(C)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C13H15N3O4/c1-9-6-11(16(17)18)13(14-7-9)15-10(8-19-2)12-4-3-5-20-12/h3-7,10H,8H2,1-2H3,(H,14,15)
InChIKeyHGLFDUSQJAFWAO-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.69
Rot. Bonds6

About N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine

N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine (PubChem CID 133336629) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
PubChem CID133336629
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
SMILESCOCC(Nc1ncc(C)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C13H15N3O4/c1-9-6-11(16(17)18)13(14-7-9)15-10(8-19-2)12-4-3-5-20-12/h3-7,10H,8H2,1-2H3,(H,14,15)
InChIKeyHGLFDUSQJAFWAO-UHFFFAOYSA-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'}

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Related Compounds

N-[1-(furan-2-yl)-2-methoxyethyl]-3-methyl-4-nitroaniline
CID 133429012
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280485
4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline
CID 133336556
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 95787438
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
CID 66279610
1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 75508670
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305
N-[1-(2-chlorophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66279384
N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133336576
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide
CID 122148510
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine (CID 133336629) is N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine is COCC(Nc1ncc(C)cc1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine?
The InChIKey is HGLFDUSQJAFWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-9-6-11(16(17)18)13(14-7-9)15-10(8-19-2)12-4-3-5-20-12/h3-7,10H,8H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine?
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-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-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 133336629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).