N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide

C17H20N4O4 — CID 28901397

IUPACN-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(NCCCCCO)nc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N4O4/c22-11-3-1-2-10-18-16-9-6-14(12-19-16)20-17(23)13-4-7-15(8-5-13)21(24)25/h4-9,12,22H,1-3,10-11H2,(H,18,19)(H,20,23)
InChIKeyVSZRYCVPUKPRRR-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.82
Rot. Bonds9

About N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide

N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide (PubChem CID 28901397) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide
PubChem CID28901397
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(NCCCCCO)nc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N4O4/c22-11-3-1-2-10-18-16-9-6-14(12-19-16)20-17(23)13-4-7-15(8-5-13)21(24)25/h4-9,12,22H,1-3,10-11H2,(H,18,19)(H,20,23)
InChIKeyVSZRYCVPUKPRRR-UHFFFAOYSA-N
XLogP2.82
TPSA117.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-amino-N-[6-(5-hydroxypentylamino)-3-pyridinyl]acetamide
CID 39179919
N-[6-(5-hydroxypentylamino)-3-pyridinyl]furan-2-carboxamide
CID 28901222
N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 28901850
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
CID 28901836
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
2-amino-N-[5-(5-hydroxypentylamino)-2-pyridinyl]acetamide
CID 39178424
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide?
The IUPAC name of N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide (CID 28901397) is N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide.
What is the SMILES notation for N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide?
The canonical SMILES for N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide is O=C(Nc1ccc(NCCCCCO)nc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide?
The InChIKey is VSZRYCVPUKPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-11-3-1-2-10-18-16-9-6-14(12-19-16)20-17(23)13-4-7-15(8-5-13)21(24)25/h4-9,12,22H,1-3,10-11H2,(H,18,19)(H,20,23).
What are the key properties of N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide?
N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide has a molecular weight of 344.37 g/mol, XLogP of 2.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide is sourced from PubChem (CID 28901397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).