N-(anthracen-9-ylmethyl)pyridin-3-amine

C20H16N2 — CID 71363548

IUPACN-(anthracen-9-ylmethyl)pyridin-3-amine
SMILESc1cncc(NCc2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C20H16N2/c1-3-9-18-15(6-1)12-16-7-2-4-10-19(16)20(18)14-22-17-8-5-11-21-13-17/h1-13,22H,14H2
InChIKeyTVTQLNGPKLJKFL-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.00
Rot. Bonds3

About N-(anthracen-9-ylmethyl)pyridin-3-amine

N-(anthracen-9-ylmethyl)pyridin-3-amine (PubChem CID 71363548) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)pyridin-3-amine
PubChem CID71363548
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC NameN-(anthracen-9-ylmethyl)pyridin-3-amine
SMILESc1cncc(NCc2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C20H16N2/c1-3-9-18-15(6-1)12-16-7-2-4-10-19(16)20(18)14-22-17-8-5-11-21-13-17/h1-13,22H,14H2
InChIKeyTVTQLNGPKLJKFL-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.00
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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Related Compounds

N-[(2-methylquinolin-4-yl)methyl]pyridin-3-amine
CID 79238376
N-(anthracen-9-ylmethyl)-1H-indazol-5-amine
CID 784305
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine
CID 169152040
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
anthracen-9-ylmethyloxidanium
CID 143222944
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
2-[(pyridin-3-ylamino)methyl]benzene-1,4-diol
CID 82674879
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
CID 71432381

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)pyridin-3-amine?
The IUPAC name of N-(anthracen-9-ylmethyl)pyridin-3-amine (CID 71363548) is N-(anthracen-9-ylmethyl)pyridin-3-amine.
What is the SMILES notation for N-(anthracen-9-ylmethyl)pyridin-3-amine?
The canonical SMILES for N-(anthracen-9-ylmethyl)pyridin-3-amine is c1cncc(NCc2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of N-(anthracen-9-ylmethyl)pyridin-3-amine?
The InChIKey is TVTQLNGPKLJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-3-9-18-15(6-1)12-16-7-2-4-10-19(16)20(18)14-22-17-8-5-11-21-13-17/h1-13,22H,14H2.
What are the key properties of N-(anthracen-9-ylmethyl)pyridin-3-amine?
N-(anthracen-9-ylmethyl)pyridin-3-amine has a molecular weight of 284.36 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 71363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).