6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

C19H23N5O2 — CID 58166617

IUPAC6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(-c2ccc(N)nc2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C19H23N5O2/c1-19(2,3)23-17-16-12(6-7-24(8-9-25)18(16)26)10-14(22-17)13-4-5-15(20)21-11-13/h4-7,10-11,25H,8-9H2,1-3H3,(H2,20,21)(H,22,23)
InChIKeyRTJJEXKPFZHTDR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.24
Rot. Bonds4

About 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (PubChem CID 58166617) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
PubChem CID58166617
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(-c2ccc(N)nc2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C19H23N5O2/c1-19(2,3)23-17-16-12(6-7-24(8-9-25)18(16)26)10-14(22-17)13-4-5-15(20)21-11-13/h4-7,10-11,25H,8-9H2,1-3H3,(H2,20,21)(H,22,23)
InChIKeyRTJJEXKPFZHTDR-UHFFFAOYSA-N
XLogP2.24
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (CID 58166617) is 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is CC(C)(C)Nc1nc(-c2ccc(N)nc2)cc2ccn(CCO)c(=O)c12.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The InChIKey is RTJJEXKPFZHTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2,3)23-17-16-12(6-7-24(8-9-25)18(16)26)10-14(22-17)13-4-5-15(20)21-11-13/h4-7,10-11,25H,8-9H2,1-3H3,(H2,20,21)(H,22,23).
What are the key properties of 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one has a molecular weight of 353.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).