5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide

C13H21N5O3 — CID 106241671

IUPAC5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NCCCCC(N)=O)n1
InChIInChI=1S/C13H21N5O3/c1-2-8-15-12-7-6-10(18(20)21)13(17-12)16-9-4-3-5-11(14)19/h6-7H,2-5,8-9H2,1H3,(H2,14,19)(H2,15,16,17)
InChIKeyWBSLTQVKEAWNRA-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.88
Rot. Bonds10

About 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide

5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide (PubChem CID 106241671) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
PubChem CID106241671
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NCCCCC(N)=O)n1
InChIInChI=1S/C13H21N5O3/c1-2-8-15-12-7-6-10(18(20)21)13(17-12)16-9-4-3-5-11(14)19/h6-7H,2-5,8-9H2,1H3,(H2,14,19)(H2,15,16,17)
InChIKeyWBSLTQVKEAWNRA-UHFFFAOYSA-N
XLogP1.88
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.88
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'}

Analyze 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
CID 107159646
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445

Frequently Asked Questions

What is the IUPAC name of 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
The IUPAC name of 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide (CID 106241671) is 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide.
What is the SMILES notation for 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
The canonical SMILES for 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide is CCCNc1ccc([N+](=O)[O-])c(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
The InChIKey is WBSLTQVKEAWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-2-8-15-12-7-6-10(18(20)21)13(17-12)16-9-4-3-5-11(14)19/h6-7H,2-5,8-9H2,1H3,(H2,14,19)(H2,15,16,17).
What are the key properties of 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide has a molecular weight of 295.34 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide is sourced from PubChem (CID 106241671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).