2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine

C10H13N3O2 — CID 115628495

IUPAC2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
SMILESC/C=C/CCNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-2-3-4-7-11-9-6-5-8-12-10(9)13(14)15/h2-3,5-6,8,11H,4,7H2,1H3/b3-2+
InChIKeyJCFCSJYXSNFEBI-NSCUHMNNSA-N
MW207.23 g/mol
LogP2.37
Rot. Bonds5

About 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine

2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine (PubChem CID 115628495) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine.

Molecular Properties

Compound Name2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
PubChem CID115628495
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
SMILESC/C=C/CCNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-2-3-4-7-11-9-6-5-8-12-10(9)13(14)15/h2-3,5-6,8,11H,4,7H2,1H3/b3-2+
InChIKeyJCFCSJYXSNFEBI-NSCUHMNNSA-N
XLogP2.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-pent-4-ynylpyridin-3-amine
CID 103704442
N-[2-(2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115585466
N-methyl-2-nitropyridin-3-amine
CID 555983
2-nitro-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 115585673
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
CID 104540743
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
N-(3-imidazol-1-ylpropyl)-2-nitropyridin-3-amine
CID 112685068
N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 115585416
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
The IUPAC name of 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine (CID 115628495) is 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine.
What is the SMILES notation for 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
The canonical SMILES for 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine is C/C=C/CCNc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
The InChIKey is JCFCSJYXSNFEBI-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-3-4-7-11-9-6-5-8-12-10(9)13(14)15/h2-3,5-6,8,11H,4,7H2,1H3/b3-2+.
What are the key properties of 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine has a molecular weight of 207.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine is sourced from PubChem (CID 115628495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).