1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one

C14H17N3O2 — CID 141205537

IUPAC1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(ccc(=O)n2C2CC[C@@H](O)C2)cn1
InChIInChI=1S/C14H17N3O2/c1-15-13-7-12-9(8-16-13)2-5-14(19)17(12)10-3-4-11(18)6-10/h2,5,7-8,10-11,18H,3-4,6H2,1H3,(H,15,16)/t10?,11-/m1/s1
InChIKeyITSRYDLEJXHNHT-RRKGBCIJSA-N
MW259.31 g/mol
LogP1.52
Rot. Bonds2

About 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one

1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one (PubChem CID 141205537) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one
PubChem CID141205537
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(ccc(=O)n2C2CC[C@@H](O)C2)cn1
InChIInChI=1S/C14H17N3O2/c1-15-13-7-12-9(8-16-13)2-5-14(19)17(12)10-3-4-11(18)6-10/h2,5,7-8,10-11,18H,3-4,6H2,1H3,(H,15,16)/t10?,11-/m1/s1
InChIKeyITSRYDLEJXHNHT-RRKGBCIJSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one (CID 141205537) is 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one is CNc1cc2c(ccc(=O)n2C2CC[C@@H](O)C2)cn1.
What is the InChIKey of 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one?
The InChIKey is ITSRYDLEJXHNHT-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-13-7-12-9(8-16-13)2-5-14(19)17(12)10-3-4-11(18)6-10/h2,5,7-8,10-11,18H,3-4,6H2,1H3,(H,15,16)/t10?,11-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one?
1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 141205537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).