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

C8H10N4O3 — CID 43402589

IUPAC2-[(5-nitro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cn1)C(N)=O
InChIInChI=1S/C8H10N4O3/c1-5(8(9)13)11-7-3-2-6(4-10-7)12(14)15/h2-5H,1H3,(H2,9,13)(H,10,11)
InChIKeyYSKSGKPGVUQHHK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.28
Rot. Bonds4

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

2-[(5-nitro-2-pyridinyl)amino]propanamide (PubChem CID 43402589) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)amino]propanamide
PubChem CID43402589
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-[(5-nitro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cn1)C(N)=O
InChIInChI=1S/C8H10N4O3/c1-5(8(9)13)11-7-3-2-6(4-10-7)12(14)15/h2-5H,1H3,(H2,9,13)(H,10,11)
InChIKeyYSKSGKPGVUQHHK-UHFFFAOYSA-N
XLogP0.28
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.28
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

3-[(5-nitro-2-pyridinyl)amino]butanamide
CID 115647561
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
2-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 61147205
2-(4-nitroanilino)propanamide
CID 43400796
2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
CID 114089839
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
2-[(5-methoxy-2-pyridinyl)amino]propanamide
CID 106503979
N-(2-methyl-1-phenylpropyl)-5-nitropyridin-2-amine
CID 16962694
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)amino]propanamide (CID 43402589) is 2-[(5-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)amino]propanamide is CC(Nc1ccc([N+](=O)[O-])cn1)C(N)=O.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is YSKSGKPGVUQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-5(8(9)13)11-7-3-2-6(4-10-7)12(14)15/h2-5H,1H3,(H2,9,13)(H,10,11).
What are the key properties of 2-[(5-nitro-2-pyridinyl)amino]propanamide?
2-[(5-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 210.19 g/mol, XLogP of 0.28, 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-pyridinyl)amino]propanamide is sourced from PubChem (CID 43402589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).