2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

C25H31N5O3 — CID 165380794

IUPAC2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCCCOc1ncc([C@](C)(N)CC)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12
InChIInChI=1S/C25H31N5O3/c1-6-10-32-22-17-13-27-21(11-16(17)18(14-28-22)25(5,26)7-2)30-20-9-8-15-19(29-20)12-24(3,4)33-23(15)31/h8-9,11,13-14H,6-7,10,12,26H2,1-5H3,(H,27,29,30)/t25-/m1/s1
InChIKeyHCSNLPNKJOXMEJ-RUZDIDTESA-N
MW449.56 g/mol
LogP4.63
Rot. Bonds7

About 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165380794) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165380794
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCCCOc1ncc([C@](C)(N)CC)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12
InChIInChI=1S/C25H31N5O3/c1-6-10-32-22-17-13-27-21(11-16(17)18(14-28-22)25(5,26)7-2)30-20-9-8-15-19(29-20)12-24(3,4)33-23(15)31/h8-9,11,13-14H,6-7,10,12,26H2,1-5H3,(H,27,29,30)/t25-/m1/s1
InChIKeyHCSNLPNKJOXMEJ-RUZDIDTESA-N
XLogP4.63
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Related Compounds

CID 165380857
CID 165380857
CID 165380858
CID 165380858
CID 165380874
CID 165380874
CID 165380929
CID 165380929
CID 165381017
CID 165381017
CID 165381035
CID 165381035
CID 165381130
CID 165381130
CID 165381166
CID 165381166
CID 165381216
CID 165381216
CID 165380803
CID 165380803
CID 165380848
CID 165380848
CID 165380966
CID 165380966

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165380794) is 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is CCCOc1ncc([C@](C)(N)CC)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12.
What is the InChIKey of 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is HCSNLPNKJOXMEJ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31N5O3/c1-6-10-32-22-17-13-27-21(11-16(17)18(14-28-22)25(5,26)7-2)30-20-9-8-15-19(29-20)12-24(3,4)33-23(15)31/h8-9,11,13-14H,6-7,10,12,26H2,1-5H3,(H,27,29,30)/t25-/m1/s1.
What are the key properties of 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 449.56 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).