N-[2-(4-nitrophenyl)propyl]pyridin-4-amine

C14H15N3O2 — CID 57024539

IUPACN-[2-(4-nitrophenyl)propyl]pyridin-4-amine
SMILESCC(CNc1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2/c1-11(10-16-13-6-8-15-9-7-13)12-2-4-14(5-3-12)17(18)19/h2-9,11H,10H2,1H3,(H,15,16)
InChIKeyMOSRYVWZYZSQKY-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(4-nitrophenyl)propyl]pyridin-4-amine

N-[2-(4-nitrophenyl)propyl]pyridin-4-amine (PubChem CID 57024539) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)propyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)propyl]pyridin-4-amine
PubChem CID57024539
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[2-(4-nitrophenyl)propyl]pyridin-4-amine
SMILESCC(CNc1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2/c1-11(10-16-13-6-8-15-9-7-13)12-2-4-14(5-3-12)17(18)19/h2-9,11H,10H2,1H3,(H,15,16)
InChIKeyMOSRYVWZYZSQKY-UHFFFAOYSA-N
XLogP3.21
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.21
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

(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
(2S)-2-(4-nitrophenyl)-N-propylpropan-1-amine
CID 118149789
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
2-[2-(4-nitrophenyl)propylamino]ethanol
CID 138739902
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
N-(2-methylsulfanylpropyl)-4-nitroaniline
CID 115899131
4-nitropyridine;hydrate
CID 132647818
1-N-methyl-5-nitro-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104592594
N-(2,2-dimethoxyethyl)-4-nitroaniline
CID 19371061
N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
CID 7302026
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)propyl]pyridin-4-amine?
The IUPAC name of N-[2-(4-nitrophenyl)propyl]pyridin-4-amine (CID 57024539) is N-[2-(4-nitrophenyl)propyl]pyridin-4-amine.
What is the SMILES notation for N-[2-(4-nitrophenyl)propyl]pyridin-4-amine?
The canonical SMILES for N-[2-(4-nitrophenyl)propyl]pyridin-4-amine is CC(CNc1ccncc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)propyl]pyridin-4-amine?
The InChIKey is MOSRYVWZYZSQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-11(10-16-13-6-8-15-9-7-13)12-2-4-14(5-3-12)17(18)19/h2-9,11H,10H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-nitrophenyl)propyl]pyridin-4-amine?
N-[2-(4-nitrophenyl)propyl]pyridin-4-amine has a molecular weight of 257.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)propyl]pyridin-4-amine is sourced from PubChem (CID 57024539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).