4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine

C10H13N3O2 — CID 170487275

IUPAC4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine
SMILESCc1cc(C=CCCN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-8-6-9(4-2-3-5-11)12-7-10(8)13(14)15/h2,4,6-7H,3,5,11H2,1H3
InChIKeyUXPNSBVGYBUYCO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.66
Rot. Bonds4

About 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine

4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine (PubChem CID 170487275) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine
PubChem CID170487275
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine
SMILESCc1cc(C=CCCN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-8-6-9(4-2-3-5-11)12-7-10(8)13(14)15/h2,4,6-7H,3,5,11H2,1H3
InChIKeyUXPNSBVGYBUYCO-UHFFFAOYSA-N
XLogP1.66
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.66
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'}

Analyze 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
CID 170485626
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
CID 137239122
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834
(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
CID 130624745
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
1-(4-chlorobut-1-enyl)-2-fluoro-4-methyl-5-nitrobenzene
CID 170499767
5-(4-bromobut-1-enyl)-2-methyl-3-nitropyridine
CID 170497793
2-(2-chlorophenyl)-4-methyl-5-nitropyridine
CID 166436309
1-(4-bromobut-1-enyl)-2-fluoro-4-methyl-5-nitrobenzene
CID 170498072
3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169463871

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine?
The IUPAC name of 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine (CID 170487275) is 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine?
The canonical SMILES for 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine is Cc1cc(C=CCCN)ncc1[N+](=O)[O-].
What is the InChIKey of 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine?
The InChIKey is UXPNSBVGYBUYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8-6-9(4-2-3-5-11)12-7-10(8)13(14)15/h2,4,6-7H,3,5,11H2,1H3.
What are the key properties of 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine?
4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine has a molecular weight of 207.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 170487275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).