8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one

C22H25N7O3 — CID 58167495

IUPAC8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
SMILESCc1nc(-c2ccnc(Nc3cc4ccn(CCO)c(=O)c4c(NC(C)(C)C)n3)c2)no1
InChIInChI=1S/C22H25N7O3/c1-13-24-19(28-32-13)15-5-7-23-16(12-15)25-17-11-14-6-8-29(9-10-30)21(31)18(14)20(26-17)27-22(2,3)4/h5-8,11-12,30H,9-10H2,1-4H3,(H2,23,25,26,27)
InChIKeyDUHYLXSMDIUMAW-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.10
Rot. Bonds6

About 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one

8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one (PubChem CID 58167495) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
PubChem CID58167495
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
SMILESCc1nc(-c2ccnc(Nc3cc4ccn(CCO)c(=O)c4c(NC(C)(C)C)n3)c2)no1
InChIInChI=1S/C22H25N7O3/c1-13-24-19(28-32-13)15-5-7-23-16(12-15)25-17-11-14-6-8-29(9-10-30)21(31)18(14)20(26-17)27-22(2,3)4/h5-8,11-12,30H,9-10H2,1-4H3,(H2,23,25,26,27)
InChIKeyDUHYLXSMDIUMAW-UHFFFAOYSA-N
XLogP3.10
TPSA130.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?
The IUPAC name of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one (CID 58167495) is 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one is Cc1nc(-c2ccnc(Nc3cc4ccn(CCO)c(=O)c4c(NC(C)(C)C)n3)c2)no1.
What is the InChIKey of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?
The InChIKey is DUHYLXSMDIUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-13-24-19(28-32-13)15-5-7-23-16(12-15)25-17-11-14-6-8-29(9-10-30)21(31)18(14)20(26-17)27-22(2,3)4/h5-8,11-12,30H,9-10H2,1-4H3,(H2,23,25,26,27).
What are the key properties of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one has a molecular weight of 435.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).