N-butyl-N-(4-nitrophenyl)pyridin-4-amine

C15H17N3O2 — CID 125493735

IUPACN-butyl-N-(4-nitrophenyl)pyridin-4-amine
SMILESCCCCN(c1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-12-17(14-8-10-16-11-9-14)13-4-6-15(7-5-13)18(19)20/h4-11H,2-3,12H2,1H3
InChIKeyYJZUMNJRARPERL-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.93
Rot. Bonds6

About N-butyl-N-(4-nitrophenyl)pyridin-4-amine

N-butyl-N-(4-nitrophenyl)pyridin-4-amine (PubChem CID 125493735) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-butyl-N-(4-nitrophenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-butyl-N-(4-nitrophenyl)pyridin-4-amine
PubChem CID125493735
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-butyl-N-(4-nitrophenyl)pyridin-4-amine
SMILESCCCCN(c1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-12-17(14-8-10-16-11-9-14)13-4-6-15(7-5-13)18(19)20/h4-11H,2-3,12H2,1H3
InChIKeyYJZUMNJRARPERL-UHFFFAOYSA-N
XLogP3.93
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
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-hexyl-N-methyl-4-nitroaniline
CID 10799823
4-nitropyridine;hydrate
CID 132647818
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
N-butyl-N-ethyl-4-[2-(4-nitrophenyl)ethenyl]aniline
CID 67941461
7-(N-(4-nitrophenyl)anilino)heptan-1-ol
CID 15706930
methyl N-(4-nitrophenyl)-N-pyridin-4-ylcarbamate
CID 174754917
N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 154750058
N-butyl-N-[(dibutylamino)-(4-nitrophenoxy)phosphoryl]butan-1-amine
CID 24887656
ethanol;bis(4-nitropyridine);oxotechnetium;dihydrobromide
CID 57404095
N,N-dibutyl-6-nitropyridin-3-amine
CID 164526082
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
N-butyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347461

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-nitrophenyl)pyridin-4-amine?
The IUPAC name of N-butyl-N-(4-nitrophenyl)pyridin-4-amine (CID 125493735) is N-butyl-N-(4-nitrophenyl)pyridin-4-amine.
What is the SMILES notation for N-butyl-N-(4-nitrophenyl)pyridin-4-amine?
The canonical SMILES for N-butyl-N-(4-nitrophenyl)pyridin-4-amine is CCCCN(c1ccncc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-butyl-N-(4-nitrophenyl)pyridin-4-amine?
The InChIKey is YJZUMNJRARPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-12-17(14-8-10-16-11-9-14)13-4-6-15(7-5-13)18(19)20/h4-11H,2-3,12H2,1H3.
What are the key properties of N-butyl-N-(4-nitrophenyl)pyridin-4-amine?
N-butyl-N-(4-nitrophenyl)pyridin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-nitrophenyl)pyridin-4-amine is sourced from PubChem (CID 125493735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).