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

C12H19N5O3 — CID 80819815

IUPAC2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H19N5O3/c1-4-7-14-9-6-5-8(17(19)20)10(15-9)16-12(2,3)11(13)18/h5-6H,4,7H2,1-3H3,(H2,13,18)(H2,14,15,16)
InChIKeyNGDXRFNIHBRYKY-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.49
Rot. Bonds7

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

2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide (PubChem CID 80819815) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
PubChem CID80819815
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H19N5O3/c1-4-7-14-9-6-5-8(17(19)20)10(15-9)16-12(2,3)11(13)18/h5-6H,4,7H2,1-3H3,(H2,13,18)(H2,14,15,16)
InChIKeyNGDXRFNIHBRYKY-UHFFFAOYSA-N
XLogP1.49
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.49
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'}

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Related Compounds

5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80784224
2-N-(1-methoxypropan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80786716
3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 83179472
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
The IUPAC name of 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide (CID 80819815) is 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
The canonical SMILES for 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide is CCCNc1ccc([N+](=O)[O-])c(NC(C)(C)C(N)=O)n1.
What is the InChIKey of 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
The InChIKey is NGDXRFNIHBRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-4-7-14-9-6-5-8(17(19)20)10(15-9)16-12(2,3)11(13)18/h5-6H,4,7H2,1-3H3,(H2,13,18)(H2,14,15,16).
What are the key properties of 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide?
2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide has a molecular weight of 281.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 80819815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).