2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide

C9H9F3N4O3 — CID 106748995

IUPAC2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
SMILESCC(Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C9H9F3N4O3/c1-4(8(13)17)15-5-2-7(9(10,11)12)14-3-6(5)16(18)19/h2-4H,1H3,(H2,13,17)(H,14,15)
InChIKeyWNQIANGWHZVUES-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.29
Rot. Bonds4

About 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide

2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide (PubChem CID 106748995) has the molecular formula C9H9F3N4O3 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
PubChem CID106748995
Molecular FormulaC9H9F3N4O3
Molecular Weight278.19 g/mol
Exact Mass278.06
IUPAC Name2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
SMILESCC(Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C9H9F3N4O3/c1-4(8(13)17)15-5-2-7(9(10,11)12)14-3-6(5)16(18)19/h2-4H,1H3,(H2,13,17)(H,14,15)
InChIKeyWNQIANGWHZVUES-UHFFFAOYSA-N
XLogP1.29
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanoate
CID 106748979
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propan-1-ol
CID 106748977
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propane-1,3-diol
CID 106749403
N-(1-methylsulfonylpropan-2-yl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749372
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106749647
1-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]butan-2-ol
CID 106749637
N-hex-1-yn-3-yl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106231519
5-nitro-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyridin-4-amine
CID 106749682
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 54935716
1,1-difluoro-3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propan-2-ol
CID 106832583
5-[(1-amino-1-oxopropan-2-yl)amino]-2-fluoro-4-nitrobenzoic acid
CID 113442894
2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
CID 114089839

Frequently Asked Questions

What is the IUPAC name of 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
The IUPAC name of 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide (CID 106748995) is 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide is CC(Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
The InChIKey is WNQIANGWHZVUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3/c1-4(8(13)17)15-5-2-7(9(10,11)12)14-3-6(5)16(18)19/h2-4H,1H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide has a molecular weight of 278.19 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propanamide is sourced from PubChem (CID 106748995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).