N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine

C28H28N2 — CID 632454

IUPACN,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine
SMILESCCN(CC)c1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C28H28N2/c1-4-30(5-2)28-21(3)25(22-15-9-6-10-16-22)26(23-17-11-7-12-18-23)27(29-28)24-19-13-8-14-20-24/h6-20H,4-5H2,1-3H3
InChIKeyXXTNVYZXBLXIDA-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.24
Rot. Bonds6

About N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine

N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine (PubChem CID 632454) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine
PubChem CID632454
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC NameN,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine
SMILESCCN(CC)c1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C28H28N2/c1-4-30(5-2)28-21(3)25(22-15-9-6-10-16-22)26(23-17-11-7-12-18-23)27(29-28)24-19-13-8-14-20-24/h6-20H,4-5H2,1-3H3
InChIKeyXXTNVYZXBLXIDA-UHFFFAOYSA-N
XLogP7.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine?
The IUPAC name of N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine (CID 632454) is N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine.
What is the SMILES notation for N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine?
The canonical SMILES for N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine is CCN(CC)c1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C.
What is the InChIKey of N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine?
The InChIKey is XXTNVYZXBLXIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-4-30(5-2)28-21(3)25(22-15-9-6-10-16-22)26(23-17-11-7-12-18-23)27(29-28)24-19-13-8-14-20-24/h6-20H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine?
N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine has a molecular weight of 392.55 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-4,5,6-triphenylpyridin-2-amine is sourced from PubChem (CID 632454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).