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

C12H13N3O3 — CID 30994278

IUPACN-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C12H13N3O3/c1-8-3-5-11(18-8)9(2)14-12-6-4-10(7-13-12)15(16)17/h3-7,9H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyIGZQSBNHUJSHKE-SECBINFHSA-N
MW247.25 g/mol
LogP3.06
Rot. Bonds4

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

N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine (PubChem CID 30994278) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
PubChem CID30994278
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C12H13N3O3/c1-8-3-5-11(18-8)9(2)14-12-6-4-10(7-13-12)15(16)17/h3-7,9H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyIGZQSBNHUJSHKE-SECBINFHSA-N
XLogP3.06
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.06
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'}

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Related Compounds

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 62477045
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 7230667
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroaniline
CID 43719162
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 99802719
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
3-bromo-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 104507839
2-[1-(5-methylfuran-2-yl)ethylamino]-5-nitrobenzonitrile
CID 43025707
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine (CID 30994278) is N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine is Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)o1.
What is the InChIKey of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is IGZQSBNHUJSHKE-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-3-5-11(18-8)9(2)14-12-6-4-10(7-13-12)15(16)17/h3-7,9H,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 247.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 30994278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).