5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine

C17H14ClFN4 — CID 58127283

IUPAC5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
SMILESNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1
InChIInChI=1S/C17H14ClFN4/c18-14-10-21-16(20)8-13(14)15-5-2-6-17(23-15)22-9-11-3-1-4-12(19)7-11/h1-8,10H,9H2,(H2,20,21)(H,22,23)
InChIKeySPAUOSZMLGYUAB-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.13
Rot. Bonds4

About 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine (PubChem CID 58127283) has the molecular formula C17H14ClFN4 and a molecular weight of 328.78 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
PubChem CID58127283
Molecular FormulaC17H14ClFN4
Molecular Weight328.78 g/mol
Exact Mass328.09
IUPAC Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
SMILESNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1
InChIInChI=1S/C17H14ClFN4/c18-14-10-21-16(20)8-13(14)15-5-2-6-17(23-15)22-9-11-3-1-4-12(19)7-11/h1-8,10H,9H2,(H2,20,21)(H,22,23)
InChIKeySPAUOSZMLGYUAB-UHFFFAOYSA-N
XLogP4.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine (CID 58127283) is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine is Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine?
The InChIKey is SPAUOSZMLGYUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4/c18-14-10-21-16(20)8-13(14)15-5-2-6-17(23-15)22-9-11-3-1-4-12(19)7-11/h1-8,10H,9H2,(H2,20,21)(H,22,23).
What are the key properties of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine?
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine has a molecular weight of 328.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 58127283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).