9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid

C21H24N4O2 — CID 59886879

IUPAC9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid
SMILESO=C(O)CC(CCCCCCc1ccc2cccnc2n1)c1cncnc1
InChIInChI=1S/C21H24N4O2/c26-20(27)12-17(18-13-22-15-23-14-18)6-3-1-2-4-8-19-10-9-16-7-5-11-24-21(16)25-19/h5,7,9-11,13-15,17H,1-4,6,8,12H2,(H,26,27)
InChIKeyWKLLQUYRXDAWOU-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.17
Rot. Bonds10

About 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid

9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid (PubChem CID 59886879) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid.

Molecular Properties

Compound Name9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid
PubChem CID59886879
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid
SMILESO=C(O)CC(CCCCCCc1ccc2cccnc2n1)c1cncnc1
InChIInChI=1S/C21H24N4O2/c26-20(27)12-17(18-13-22-15-23-14-18)6-3-1-2-4-8-19-10-9-16-7-5-11-24-21(16)25-19/h5,7,9-11,13-15,17H,1-4,6,8,12H2,(H,26,27)
InChIKeyWKLLQUYRXDAWOU-UHFFFAOYSA-N
XLogP4.17
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

PharmaGSID_47333
CID 9951932
3-(2-Methylpyrimidin-5-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 9846634
(S)-3-Pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 9929222
(S)-3-Quinolin-3-yl-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10112695
(S)-3-(2-Methoxy-pyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10135509
3-(Pyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1,2,4-oxadiazol-5-yl)butanoic acid
CID 10279663
3-(Quinolin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1,2,4-oxadiazol-5-yl)butanoic acid
CID 10281487
(S)-3-(2-Isopropyl-pyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 11292789
(S)-3-Quinolin-3-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid
CID 10320601
3-Pyrimidin-5-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid
CID 44366410
(S)-3-Pyrimidin-5-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid
CID 44461075
(S)-3-Quinolin-3-yl-3-(7-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-heptanoylamino)-propionic acid
CID 44461322

Frequently Asked Questions

What is the IUPAC name of 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid?
The IUPAC name of 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid (CID 59886879) is 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid.
What is the SMILES notation for 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid?
The canonical SMILES for 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid is O=C(O)CC(CCCCCCc1ccc2cccnc2n1)c1cncnc1.
What is the InChIKey of 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid?
The InChIKey is WKLLQUYRXDAWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(27)12-17(18-13-22-15-23-14-18)6-3-1-2-4-8-19-10-9-16-7-5-11-24-21(16)25-19/h5,7,9-11,13-15,17H,1-4,6,8,12H2,(H,26,27).
What are the key properties of 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid?
9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid has a molecular weight of 364.45 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid is sourced from PubChem (CID 59886879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).