6-nitro-N-(3-phenylpropyl)pyridin-3-amine

C14H15N3O2 — CID 60631720

IUPAC6-nitro-N-(3-phenylpropyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C14H15N3O2/c18-17(19)14-9-8-13(11-16-14)15-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10H2
InChIKeyBMJUUIHVXNQTQT-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.03
Rot. Bonds6

About 6-nitro-N-(3-phenylpropyl)pyridin-3-amine

6-nitro-N-(3-phenylpropyl)pyridin-3-amine (PubChem CID 60631720) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-nitro-N-(3-phenylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-(3-phenylpropyl)pyridin-3-amine
PubChem CID60631720
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-nitro-N-(3-phenylpropyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C14H15N3O2/c18-17(19)14-9-8-13(11-16-14)15-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10H2
InChIKeyBMJUUIHVXNQTQT-UHFFFAOYSA-N
XLogP3.03
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-nitropyridin-3-amine
CID 55024435
4-[2-[(6-nitro-3-pyridinyl)amino]ethyl]benzoic acid
CID 43665841
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122
N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
CID 115637425
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
CID 60631962
3-bromo-4-nitro-N-(3-phenylpropyl)aniline
CID 82862052
N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
CID 103604292
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(3-phenylpropyl)pyridin-3-amine?
The IUPAC name of 6-nitro-N-(3-phenylpropyl)pyridin-3-amine (CID 60631720) is 6-nitro-N-(3-phenylpropyl)pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-(3-phenylpropyl)pyridin-3-amine?
The canonical SMILES for 6-nitro-N-(3-phenylpropyl)pyridin-3-amine is O=[N+]([O-])c1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of 6-nitro-N-(3-phenylpropyl)pyridin-3-amine?
The InChIKey is BMJUUIHVXNQTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-17(19)14-9-8-13(11-16-14)15-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10H2.
What are the key properties of 6-nitro-N-(3-phenylpropyl)pyridin-3-amine?
6-nitro-N-(3-phenylpropyl)pyridin-3-amine has a molecular weight of 257.29 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(3-phenylpropyl)pyridin-3-amine is sourced from PubChem (CID 60631720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).