6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine

C15H14ClN3O3 — CID 71524065

IUPAC6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(c1ccc(OC)cc1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O3/c1-3-10-18(11-4-6-12(22-2)7-5-11)15-13(19(20)21)8-9-14(16)17-15/h3-9H,1,10H2,2H3
InChIKeyGRBLYKAVMAYNHJ-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.98
Rot. Bonds6

About 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine

6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine (PubChem CID 71524065) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine
PubChem CID71524065
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(c1ccc(OC)cc1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O3/c1-3-10-18(11-4-6-12(22-2)7-5-11)15-13(19(20)21)8-9-14(16)17-15/h3-9H,1,10H2,2H3
InChIKeyGRBLYKAVMAYNHJ-UHFFFAOYSA-N
XLogP3.98
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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'}

Analyze 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine (CID 71524065) is 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine is C=CCN(c1ccc(OC)cc1)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine?
The InChIKey is GRBLYKAVMAYNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-3-10-18(11-4-6-12(22-2)7-5-11)15-13(19(20)21)8-9-14(16)17-15/h3-9H,1,10H2,2H3.
What are the key properties of 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine?
6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine has a molecular weight of 319.75 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxyphenyl)-3-nitro-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 71524065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).