N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide

C13H21N5O3 — CID 80784224

IUPACN-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NC(C)C(=O)NCC)n1
InChIInChI=1S/C13H21N5O3/c1-4-8-15-11-7-6-10(18(20)21)12(17-11)16-9(3)13(19)14-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,19)(H2,15,16,17)
InChIKeyBLSDGKCKHMWLOU-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.75
Rot. Bonds8

About N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide

N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide (PubChem CID 80784224) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
PubChem CID80784224
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NC(C)C(=O)NCC)n1
InChIInChI=1S/C13H21N5O3/c1-4-8-15-11-7-6-10(18(20)21)12(17-11)16-9(3)13(19)14-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,19)(H2,15,16,17)
InChIKeyBLSDGKCKHMWLOU-UHFFFAOYSA-N
XLogP1.75
TPSA109.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide 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

N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 83179472
2-N-(1-methoxypropan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80786716
2-N-(4-methoxybutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80844313
2-methylsulfanyl-3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 106163470
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
CID 107159646
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
CID 106347523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide (CID 80784224) is N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide is CCCNc1ccc([N+](=O)[O-])c(NC(C)C(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
The InChIKey is BLSDGKCKHMWLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-4-8-15-11-7-6-10(18(20)21)12(17-11)16-9(3)13(19)14-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,14,19)(H2,15,16,17).
What are the key properties of N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide has a molecular weight of 295.34 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 80784224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).