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

C10H13N3O2 — CID 115633982

IUPAC6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
SMILESC/C=C/CCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H13N3O2/c1-2-3-4-7-11-9-5-6-10(12-8-9)13(14)15/h2-3,5-6,8,11H,4,7H2,1H3/b3-2+
InChIKeyDGNJZGRFTPJZAW-NSCUHMNNSA-N
MW207.23 g/mol
LogP2.37
Rot. Bonds5

About 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine

6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine (PubChem CID 115633982) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
PubChem CID115633982
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
SMILESC/C=C/CCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H13N3O2/c1-2-3-4-7-11-9-5-6-10(12-8-9)13(14)15/h2-3,5-6,8,11H,4,7H2,1H3/b3-2+
InChIKeyDGNJZGRFTPJZAW-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

N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
CID 115637425
6-nitro-N-(3-phenylpropyl)pyridin-3-amine
CID 60631720
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024
2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 114194514
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
CID 60631962
2-nitro-5-[[(E)-pent-3-enyl]amino]benzonitrile
CID 113459934
N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
CID 103724988
N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
CID 103604292

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
The IUPAC name of 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine (CID 115633982) is 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
The canonical SMILES for 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine is C/C=C/CCNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
The InChIKey is DGNJZGRFTPJZAW-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-3-4-7-11-9-5-6-10(12-8-9)13(14)15/h2-3,5-6,8,11H,4,7H2,1H3/b3-2+.
What are the key properties of 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine?
6-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 6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine is sourced from PubChem (CID 115633982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).