4-(4-nitro-2-pyridinyl)but-3-enamide

C9H9N3O3 — CID 170797871

IUPAC4-(4-nitro-2-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C9H9N3O3/c10-9(13)3-1-2-7-6-8(12(14)15)4-5-11-7/h1-2,4-6H,3H2,(H2,10,13)
InChIKeyYCYZRNDTZPRYHZ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.88
Rot. Bonds4

About 4-(4-nitro-2-pyridinyl)but-3-enamide

4-(4-nitro-2-pyridinyl)but-3-enamide (PubChem CID 170797871) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-(4-nitro-2-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-nitro-2-pyridinyl)but-3-enamide
PubChem CID170797871
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name4-(4-nitro-2-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C9H9N3O3/c10-9(13)3-1-2-7-6-8(12(14)15)4-5-11-7/h1-2,4-6H,3H2,(H2,10,13)
InChIKeyYCYZRNDTZPRYHZ-UHFFFAOYSA-N
XLogP0.88
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.88
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

ethyl 4-(4-nitro-2-pyridinyl)but-3-enoate
CID 170796100
9H-fluoren-9-ylmethyl N-[4-(4-nitro-2-pyridinyl)but-3-enyl]carbamate
CID 170492215
(4-nitro-2-pyridinyl)methyl acetate
CID 14761430
(4-nitro-2-pyridinyl)methanamine;dihydrochloride
CID 131844591
4-(3,5-difluoro-4-nitrophenyl)but-3-enamide
CID 170798572
4-(3-fluoro-2-nitrophenyl)but-3-enamide
CID 170798325
N-(4-nitro-2-pyridinyl)-N-oxidoacetamide
CID 45116343
N-methyl-N-(4-nitro-2-pyridinyl)acetamide
CID 166160271
4-(4-formyl-2-pyridinyl)but-3-enoic acid
CID 170483335
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-(2-chloro-5-fluoro-4-nitrophenyl)but-3-enamide
CID 170798570
N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
CID 139794873

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-2-pyridinyl)but-3-enamide?
The IUPAC name of 4-(4-nitro-2-pyridinyl)but-3-enamide (CID 170797871) is 4-(4-nitro-2-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(4-nitro-2-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(4-nitro-2-pyridinyl)but-3-enamide is NC(=O)CC=Cc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of 4-(4-nitro-2-pyridinyl)but-3-enamide?
The InChIKey is YCYZRNDTZPRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-9(13)3-1-2-7-6-8(12(14)15)4-5-11-7/h1-2,4-6H,3H2,(H2,10,13).
What are the key properties of 4-(4-nitro-2-pyridinyl)but-3-enamide?
4-(4-nitro-2-pyridinyl)but-3-enamide has a molecular weight of 207.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitro-2-pyridinyl)but-3-enamide is sourced from PubChem (CID 170797871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).