N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine

C17H15N3O2 — CID 125493578

IUPACN-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCc1cccc2ccccc12
InChIInChI=1S/C17H15N3O2/c21-20(22)17-12-18-10-9-16(17)19-11-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,9-10,12H,8,11H2,(H,18,19)
InChIKeyJSLSNCSBUNNUFC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.80
Rot. Bonds5

About N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine

N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine (PubChem CID 125493578) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine
PubChem CID125493578
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCc1cccc2ccccc12
InChIInChI=1S/C17H15N3O2/c21-20(22)17-12-18-10-9-16(17)19-11-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,9-10,12H,8,11H2,(H,18,19)
InChIKeyJSLSNCSBUNNUFC-UHFFFAOYSA-N
XLogP3.80
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(3-methylphenyl)ethyl]-3-nitropyridin-4-amine
CID 55062133
N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10332195
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine
CID 65232136
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 54951342
N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
CID 61211864
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
N-methyl-2-[(3-nitro-4-pyridinyl)amino]ethanesulfonamide
CID 114175321
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
2-[(3-nitro-4-pyridinyl)amino]-1-phenylethanone
CID 91754130

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine (CID 125493578) is N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1NCCc1cccc2ccccc12.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine?
The InChIKey is JSLSNCSBUNNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-20(22)17-12-18-10-9-16(17)19-11-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,9-10,12H,8,11H2,(H,18,19).
What are the key properties of N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine?
N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine has a molecular weight of 293.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 125493578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).