8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

C21H27N5O4 — CID 58166771

IUPAC8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(Nc2cc(OCCO)ccn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C21H27N5O4/c1-21(2,3)25-19-18-14(5-7-26(8-9-27)20(18)29)12-17(24-19)23-16-13-15(4-6-22-16)30-11-10-28/h4-7,12-13,27-28H,8-11H2,1-3H3,(H2,22,23,24,25)
InChIKeyFWUSZFOAXNDRCA-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.11
Rot. Bonds8

About 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (PubChem CID 58166771) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
PubChem CID58166771
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(Nc2cc(OCCO)ccn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C21H27N5O4/c1-21(2,3)25-19-18-14(5-7-26(8-9-27)20(18)29)12-17(24-19)23-16-13-15(4-6-22-16)30-11-10-28/h4-7,12-13,27-28H,8-11H2,1-3H3,(H2,22,23,24,25)
InChIKeyFWUSZFOAXNDRCA-UHFFFAOYSA-N
XLogP2.11
TPSA121.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (CID 58166771) is 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is CC(C)(C)Nc1nc(Nc2cc(OCCO)ccn2)cc2ccn(CCO)c(=O)c12.
What is the InChIKey of 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The InChIKey is FWUSZFOAXNDRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-21(2,3)25-19-18-14(5-7-26(8-9-27)20(18)29)12-17(24-19)23-16-13-15(4-6-22-16)30-11-10-28/h4-7,12-13,27-28H,8-11H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one has a molecular weight of 413.48 g/mol, XLogP of 2.11, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).