N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine

C23H23N5S — CID 172782021

IUPACN-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCCN(Cc1ccccc1)Cc1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C23H23N5S/c1-2-28(16-18-7-4-3-5-8-18)17-19-11-12-21(25-15-19)27-22-10-6-9-20(26-22)23-24-13-14-29-23/h3-15H,2,16-17H2,1H3,(H,25,26,27)
InChIKeyOJSAHALSGHCRHQ-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.37
Rot. Bonds8

About N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine

N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 172782021) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID172782021
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC NameN-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCCN(Cc1ccccc1)Cc1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C23H23N5S/c1-2-28(16-18-7-4-3-5-8-18)17-19-11-12-21(25-15-19)27-22-10-6-9-20(26-22)23-24-13-14-29-23/h3-15H,2,16-17H2,1H3,(H,25,26,27)
InChIKeyOJSAHALSGHCRHQ-UHFFFAOYSA-N
XLogP5.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine (CID 172782021) is N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine is CCN(Cc1ccccc1)Cc1ccc(Nc2cccc(-c3nccs3)n2)nc1.
What is the InChIKey of N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is OJSAHALSGHCRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-2-28(16-18-7-4-3-5-8-18)17-19-11-12-21(25-15-19)27-22-10-6-9-20(26-22)23-24-13-14-29-23/h3-15H,2,16-17H2,1H3,(H,25,26,27).
What are the key properties of N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 401.54 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 172782021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).