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

C23H28N6O2 — CID 165380823

IUPAC2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCCNc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12
InChIInChI=1S/C23H28N6O2/c1-6-25-20-15-11-26-19(9-14(15)16(12-27-20)23(4,5)24)29-18-8-7-13-17(28-18)10-22(2,3)31-21(13)30/h7-9,11-12H,6,10,24H2,1-5H3,(H,25,27)(H,26,28,29)
InChIKeyMRZRDZFAMYIUHO-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.89
Rot. Bonds5

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

2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165380823) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165380823
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCCNc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12
InChIInChI=1S/C23H28N6O2/c1-6-25-20-15-11-26-19(9-14(15)16(12-27-20)23(4,5)24)29-18-8-7-13-17(28-18)10-22(2,3)31-21(13)30/h7-9,11-12H,6,10,24H2,1-5H3,(H,25,27)(H,26,28,29)
InChIKeyMRZRDZFAMYIUHO-UHFFFAOYSA-N
XLogP3.89
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165380823) is 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-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-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is CCNc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is MRZRDZFAMYIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-6-25-20-15-11-26-19(9-14(15)16(12-27-20)23(4,5)24)29-18-8-7-13-17(28-18)10-22(2,3)31-21(13)30/h7-9,11-12H,6,10,24H2,1-5H3,(H,25,27)(H,26,28,29).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 420.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).