5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine

C18H17ClN4 — CID 142938104

IUPAC5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(CCc3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C18H17ClN4/c19-16-6-2-12(3-7-16)1-4-13-9-15(11-23-18(13)21)14-5-8-17(20)22-10-14/h2-3,5-11H,1,4H2,(H2,20,22)(H2,21,23)
InChIKeyJDLOEMPFUQSTHJ-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.75
Rot. Bonds4

About 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine

5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine (PubChem CID 142938104) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
PubChem CID142938104
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(CCc3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C18H17ClN4/c19-16-6-2-12(3-7-16)1-4-13-9-15(11-23-18(13)21)14-5-8-17(20)22-10-14/h2-3,5-11H,1,4H2,(H2,20,22)(H2,21,23)
InChIKeyJDLOEMPFUQSTHJ-UHFFFAOYSA-N
XLogP3.75
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine (CID 142938104) is 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine is Nc1ccc(-c2cnc(N)c(CCc3ccc(Cl)cc3)c2)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
The InChIKey is JDLOEMPFUQSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-16-6-2-12(3-7-16)1-4-13-9-15(11-23-18(13)21)14-5-8-17(20)22-10-14/h2-3,5-11H,1,4H2,(H2,20,22)(H2,21,23).
What are the key properties of 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine has a molecular weight of 324.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-3-[2-(4-chlorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 142938104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).