4-(3-nitro-2-pyridinyl)butanamide

C9H11N3O3 — CID 163212150

IUPAC4-(3-nitro-2-pyridinyl)butanamide
SMILESNC(=O)CCCc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c10-9(13)5-1-3-7-8(12(14)15)4-2-6-11-7/h2,4,6H,1,3,5H2,(H2,10,13)
InChIKeyCRDVHTBWDXNMEQ-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.80
Rot. Bonds5

About 4-(3-nitro-2-pyridinyl)butanamide

4-(3-nitro-2-pyridinyl)butanamide (PubChem CID 163212150) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-(3-nitro-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(3-nitro-2-pyridinyl)butanamide
PubChem CID163212150
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name4-(3-nitro-2-pyridinyl)butanamide
SMILESNC(=O)CCCc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c10-9(13)5-1-3-7-8(12(14)15)4-2-6-11-7/h2,4,6H,1,3,5H2,(H2,10,13)
InChIKeyCRDVHTBWDXNMEQ-UHFFFAOYSA-N
XLogP0.80
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,1,1-trifluoro-3-(3-nitro-2-pyridinyl)propan-2-one
CID 117047413
(3-nitro-2-pyridinyl)methylphosphonic acid
CID 69136226
3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol
CID 63200954
3-(3-methyl-2-pyridinyl)propanamide
CID 20592751
3-[(3-nitro-2-pyridinyl)amino]butanamide
CID 115647564
2,3-dinitropyridine;hydrazine
CID 175406944
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
2-[(3,5-difluorophenyl)methyl]-3-nitropyridine
CID 58459200
3-[2-(2-nitrophenyl)ethylamino]propanamide
CID 55146808
carbamic acid;2-nitropyrimidine
CID 67023140
3-[4-(3-nitro-2-pyridinyl)phenyl]propanoic acid
CID 70658634
2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
CID 63353206

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitro-2-pyridinyl)butanamide?
The IUPAC name of 4-(3-nitro-2-pyridinyl)butanamide (CID 163212150) is 4-(3-nitro-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(3-nitro-2-pyridinyl)butanamide?
The canonical SMILES for 4-(3-nitro-2-pyridinyl)butanamide is NC(=O)CCCc1ncccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-nitro-2-pyridinyl)butanamide?
The InChIKey is CRDVHTBWDXNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-9(13)5-1-3-7-8(12(14)15)4-2-6-11-7/h2,4,6H,1,3,5H2,(H2,10,13).
What are the key properties of 4-(3-nitro-2-pyridinyl)butanamide?
4-(3-nitro-2-pyridinyl)butanamide has a molecular weight of 209.21 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitro-2-pyridinyl)butanamide is sourced from PubChem (CID 163212150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).