6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine

C21H16ClN5 — CID 25053933

IUPAC6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine
SMILESClc1cccc(N(c2cccnc2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C21H16ClN5/c22-19-8-1-9-20(26-19)27(18-7-4-12-25-15-18)21(16-5-2-10-23-13-16)17-6-3-11-24-14-17/h1-15,21H
InChIKeyUEGZSRWDDOUJFX-UHFFFAOYSA-N
MW373.85 g/mol
LogP4.85
Rot. Bonds5

About 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine

6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine (PubChem CID 25053933) has the molecular formula C21H16ClN5 and a molecular weight of 373.85 g/mol. Its IUPAC name is 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine
PubChem CID25053933
Molecular FormulaC21H16ClN5
Molecular Weight373.85 g/mol
Exact Mass373.11
IUPAC Name6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine
SMILESClc1cccc(N(c2cccnc2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C21H16ClN5/c22-19-8-1-9-20(26-19)27(18-7-4-12-25-15-18)21(16-5-2-10-23-13-16)17-6-3-11-24-14-17/h1-15,21H
InChIKeyUEGZSRWDDOUJFX-UHFFFAOYSA-N
XLogP4.85
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine (CID 25053933) is 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine is Clc1cccc(N(c2cccnc2)C(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine?
The InChIKey is UEGZSRWDDOUJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5/c22-19-8-1-9-20(26-19)27(18-7-4-12-25-15-18)21(16-5-2-10-23-13-16)17-6-3-11-24-14-17/h1-15,21H.
What are the key properties of 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine?
6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine has a molecular weight of 373.85 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(dipyridin-3-ylmethyl)-N-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 25053933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).