5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine

C19H15FN4 — CID 20735509

IUPAC5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine
SMILES[C-]#[N+]c1cc(-c2cc(C)nc(C)c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C19H15FN4/c1-11-7-14(8-12(2)23-11)16-10-17(22-3)19(21)24-18(16)13-5-4-6-15(20)9-13/h4-10H,1-2H3,(H2,21,24)
InChIKeyXVCDURVXODZMRZ-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.70
Rot. Bonds2

About 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine

5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine (PubChem CID 20735509) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine
PubChem CID20735509
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine
SMILES[C-]#[N+]c1cc(-c2cc(C)nc(C)c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C19H15FN4/c1-11-7-14(8-12(2)23-11)16-10-17(22-3)19(21)24-18(16)13-5-4-6-15(20)9-13/h4-10H,1-2H3,(H2,21,24)
InChIKeyXVCDURVXODZMRZ-UHFFFAOYSA-N
XLogP4.70
TPSA56.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine?
The IUPAC name of 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine (CID 20735509) is 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine.
What is the SMILES notation for 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine?
The canonical SMILES for 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine is [C-]#[N+]c1cc(-c2cc(C)nc(C)c2)c(-c2cccc(F)c2)nc1N.
What is the InChIKey of 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine?
The InChIKey is XVCDURVXODZMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-11-7-14(8-12(2)23-11)16-10-17(22-3)19(21)24-18(16)13-5-4-6-15(20)9-13/h4-10H,1-2H3,(H2,21,24).
What are the key properties of 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine?
5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine has a molecular weight of 318.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)-3-isocyanopyridin-2-amine is sourced from PubChem (CID 20735509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).