N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine

C27H28N2 — CID 22292706

IUPACN-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C27H28N2/c1-18(2)21-13-8-14-22(19(3)4)27(21)29-26-17-9-16-25(28-26)24-15-7-11-20-10-5-6-12-23(20)24/h5-19H,1-4H3,(H,28,29)
InChIKeyBRDLOQAMBURYBF-UHFFFAOYSA-N
MW380.54 g/mol
LogP7.89
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine

N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine (PubChem CID 22292706) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
PubChem CID22292706
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C27H28N2/c1-18(2)21-13-8-14-22(19(3)4)27(21)29-26-17-9-16-25(28-26)24-15-7-11-20-10-5-6-12-23(20)24/h5-19H,1-4H3,(H,28,29)
InChIKeyBRDLOQAMBURYBF-UHFFFAOYSA-N
XLogP7.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine (CID 22292706) is N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine is CC(C)c1cccc(C(C)C)c1Nc1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine?
The InChIKey is BRDLOQAMBURYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-18(2)21-13-8-14-22(19(3)4)27(21)29-26-17-9-16-25(28-26)24-15-7-11-20-10-5-6-12-23(20)24/h5-19H,1-4H3,(H,28,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine?
N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine has a molecular weight of 380.54 g/mol, XLogP of 7.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine is sourced from PubChem (CID 22292706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).