N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine

C15H17N3O3 — CID 51194316

IUPACN-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
SMILESCCC(Nc1ccc([N+](=O)[O-])cn1)c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O3/c1-3-14(11-4-7-13(21-2)8-5-11)17-15-9-6-12(10-16-15)18(19)20/h4-10,14H,3H2,1-2H3,(H,16,17)
InChIKeyVEVCUOSJRHKMSB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine

N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine (PubChem CID 51194316) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
PubChem CID51194316
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
SMILESCCC(Nc1ccc([N+](=O)[O-])cn1)c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O3/c1-3-14(11-4-7-13(21-2)8-5-11)17-15-9-6-12(10-16-15)18(19)20/h4-10,14H,3H2,1-2H3,(H,16,17)
InChIKeyVEVCUOSJRHKMSB-UHFFFAOYSA-N
XLogP3.56
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.56
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

N-[(1S)-1-(4-bromophenyl)propyl]-5-nitropyridin-2-amine
CID 30640848
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
2-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-5-nitrobenzonitrile
CID 9340089
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-[1-(4-methylphenyl)propyl]-5-nitropyrimidin-2-amine
CID 133467239
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-nitropyridin-1-ium-2-amine
CID 9340142
N-[1-(3,4-dipropoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 45351788

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine (CID 51194316) is N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine is CCC(Nc1ccc([N+](=O)[O-])cn1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
The InChIKey is VEVCUOSJRHKMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-14(11-4-7-13(21-2)8-5-11)17-15-9-6-12(10-16-15)18(19)20/h4-10,14H,3H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 51194316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).