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

C16H13ClN4 — CID 118701008

IUPAC5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
InChIKeyKHPCIHZXOGHCLY-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.63
Rot. Bonds2

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

5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine (PubChem CID 118701008) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine
PubChem CID118701008
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
InChIKeyKHPCIHZXOGHCLY-UHFFFAOYSA-N
XLogP3.63
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.63
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-(4-chlorophenyl)pyridin-2-amine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine (CID 118701008) is 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine is Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine?
The InChIKey is KHPCIHZXOGHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21).
What are the key properties of 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine?
5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine has a molecular weight of 296.76 g/mol, XLogP of 3.63, 2 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-(4-chlorophenyl)pyridin-2-amine is sourced from PubChem (CID 118701008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).