2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one

C20H22N6O2 — CID 165380863

IUPAC2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CCNC4=O)ncc12
InChIInChI=1S/C20H22N6O2/c1-20(2,21)14-10-24-19(28-3)13-9-23-17(8-12(13)14)26-16-5-4-11-15(25-16)6-7-22-18(11)27/h4-5,8-10H,6-7,21H2,1-3H3,(H,22,27)(H,23,25,26)
InChIKeyLTMHNFXBJWMNOY-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.26
Rot. Bonds4

About 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 165380863) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID165380863
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CCNC4=O)ncc12
InChIInChI=1S/C20H22N6O2/c1-20(2,21)14-10-24-19(28-3)13-9-23-17(8-12(13)14)26-16-5-4-11-15(25-16)6-7-22-18(11)27/h4-5,8-10H,6-7,21H2,1-3H3,(H,22,27)(H,23,25,26)
InChIKeyLTMHNFXBJWMNOY-UHFFFAOYSA-N
XLogP2.26
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 165380863) is 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CCNC4=O)ncc12.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is LTMHNFXBJWMNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-20(2,21)14-10-24-19(28-3)13-9-23-17(8-12(13)14)26-16-5-4-11-15(25-16)6-7-22-18(11)27/h4-5,8-10H,6-7,21H2,1-3H3,(H,22,27)(H,23,25,26).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 378.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 165380863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).