1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine

C21H20N6S — CID 46186716

IUPAC1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine
SMILESNC1CCCN(c2ccnc3cnc(-c4cccc(-c5nccs5)n4)cc23)C1
InChIInChI=1S/C21H20N6S/c22-14-3-2-9-27(13-14)20-6-7-23-19-12-25-18(11-15(19)20)16-4-1-5-17(26-16)21-24-8-10-28-21/h1,4-8,10-12,14H,2-3,9,13,22H2
InChIKeyLLTREDCLJINYCA-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.74
Rot. Bonds3

About 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine

1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine (PubChem CID 46186716) has the molecular formula C21H20N6S and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine
PubChem CID46186716
Molecular FormulaC21H20N6S
Molecular Weight388.50 g/mol
Exact Mass388.15
IUPAC Name1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine
SMILESNC1CCCN(c2ccnc3cnc(-c4cccc(-c5nccs5)n4)cc23)C1
InChIInChI=1S/C21H20N6S/c22-14-3-2-9-27(13-14)20-6-7-23-19-12-25-18(11-15(19)20)16-4-1-5-17(26-16)21-24-8-10-28-21/h1,4-8,10-12,14H,2-3,9,13,22H2
InChIKeyLLTREDCLJINYCA-UHFFFAOYSA-N
XLogP3.74
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
The IUPAC name of 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine (CID 46186716) is 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine is NC1CCCN(c2ccnc3cnc(-c4cccc(-c5nccs5)n4)cc23)C1.
What is the InChIKey of 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
The InChIKey is LLTREDCLJINYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6S/c22-14-3-2-9-27(13-14)20-6-7-23-19-12-25-18(11-15(19)20)16-4-1-5-17(26-16)21-24-8-10-28-21/h1,4-8,10-12,14H,2-3,9,13,22H2.
What are the key properties of 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine has a molecular weight of 388.50 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine is sourced from PubChem (CID 46186716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).