8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

C24H26N6O2 — CID 58166654

IUPAC8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(Nc2cc(-c3cccnc3)ccn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C24H26N6O2/c1-24(2,3)29-22-21-17(7-10-30(11-12-31)23(21)32)14-20(28-22)27-19-13-16(6-9-26-19)18-5-4-8-25-15-18/h4-10,13-15,31H,11-12H2,1-3H3,(H2,26,27,28,29)
InChIKeyWXBKLPGGZPNSJC-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.80
Rot. Bonds6

About 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (PubChem CID 58166654) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
PubChem CID58166654
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(Nc2cc(-c3cccnc3)ccn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C24H26N6O2/c1-24(2,3)29-22-21-17(7-10-30(11-12-31)23(21)32)14-20(28-22)27-19-13-16(6-9-26-19)18-5-4-8-25-15-18/h4-10,13-15,31H,11-12H2,1-3H3,(H2,26,27,28,29)
InChIKeyWXBKLPGGZPNSJC-UHFFFAOYSA-N
XLogP3.80
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (CID 58166654) is 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is CC(C)(C)Nc1nc(Nc2cc(-c3cccnc3)ccn2)cc2ccn(CCO)c(=O)c12.
What is the InChIKey of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The InChIKey is WXBKLPGGZPNSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-24(2,3)29-22-21-17(7-10-30(11-12-31)23(21)32)14-20(28-22)27-19-13-16(6-9-26-19)18-5-4-8-25-15-18/h4-10,13-15,31H,11-12H2,1-3H3,(H2,26,27,28,29).
What are the key properties of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one has a molecular weight of 430.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).