N-(2-methylanthracen-9-yl)pyridin-2-amine

C20H16N2 — CID 87889776

IUPACN-(2-methylanthracen-9-yl)pyridin-2-amine
SMILESCc1ccc2cc3ccccc3c(Nc3ccccn3)c2c1
InChIInChI=1S/C20H16N2/c1-14-9-10-16-13-15-6-2-3-7-17(15)20(18(16)12-14)22-19-8-4-5-11-21-19/h2-13H,1H3,(H,21,22)
InChIKeyPHXCYHSZKCPSTP-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.44
Rot. Bonds2

About N-(2-methylanthracen-9-yl)pyridin-2-amine

N-(2-methylanthracen-9-yl)pyridin-2-amine (PubChem CID 87889776) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-methylanthracen-9-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylanthracen-9-yl)pyridin-2-amine
PubChem CID87889776
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC NameN-(2-methylanthracen-9-yl)pyridin-2-amine
SMILESCc1ccc2cc3ccccc3c(Nc3ccccn3)c2c1
InChIInChI=1S/C20H16N2/c1-14-9-10-16-13-15-6-2-3-7-17(15)20(18(16)12-14)22-19-8-4-5-11-21-19/h2-13H,1H3,(H,21,22)
InChIKeyPHXCYHSZKCPSTP-UHFFFAOYSA-N
XLogP5.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylanthracen-9-yl)pyridin-2-amine?
The IUPAC name of N-(2-methylanthracen-9-yl)pyridin-2-amine (CID 87889776) is N-(2-methylanthracen-9-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-methylanthracen-9-yl)pyridin-2-amine?
The canonical SMILES for N-(2-methylanthracen-9-yl)pyridin-2-amine is Cc1ccc2cc3ccccc3c(Nc3ccccn3)c2c1.
What is the InChIKey of N-(2-methylanthracen-9-yl)pyridin-2-amine?
The InChIKey is PHXCYHSZKCPSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-9-10-16-13-15-6-2-3-7-17(15)20(18(16)12-14)22-19-8-4-5-11-21-19/h2-13H,1H3,(H,21,22).
What are the key properties of N-(2-methylanthracen-9-yl)pyridin-2-amine?
N-(2-methylanthracen-9-yl)pyridin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylanthracen-9-yl)pyridin-2-amine is sourced from PubChem (CID 87889776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).