3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid

C22H26N4O2 — CID 59886883

IUPAC3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid
SMILESCc1ncc(C(CCCCCCc2ccc3cccnc3n2)CC(=O)O)cn1
InChIInChI=1S/C22H26N4O2/c1-16-24-14-19(15-25-16)18(13-21(27)28)7-4-2-3-5-9-20-11-10-17-8-6-12-23-22(17)26-20/h6,8,10-12,14-15,18H,2-5,7,9,13H2,1H3,(H,27,28)
InChIKeyCINWOFULQPVZSC-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.48
Rot. Bonds10

About 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid

3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid (PubChem CID 59886883) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid.

Molecular Properties

Compound Name3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid
PubChem CID59886883
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid
SMILESCc1ncc(C(CCCCCCc2ccc3cccnc3n2)CC(=O)O)cn1
InChIInChI=1S/C22H26N4O2/c1-16-24-14-19(15-25-16)18(13-21(27)28)7-4-2-3-5-9-20-11-10-17-8-6-12-23-22(17)26-20/h6,8,10-12,14-15,18H,2-5,7,9,13H2,1H3,(H,27,28)
InChIKeyCINWOFULQPVZSC-UHFFFAOYSA-N
XLogP4.48
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.48
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
(S)-3-(2-Isopropyl-pyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 11292789
3-Methyl-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 10136986
(S)-3-Quinolin-3-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid
CID 10320601
4-[1-[5-[4-Methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]ethyl]cyclohexane-1-carboxylic acid
CID 70984661
4-[1-[5-[6-[[4-(Difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-fluoroethyl]cyclohexane-1-carboxylic acid
CID 71003400
3-Pyrimidin-5-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid
CID 44366410

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid?
The IUPAC name of 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid (CID 59886883) is 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid.
What is the SMILES notation for 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid?
The canonical SMILES for 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid is Cc1ncc(C(CCCCCCc2ccc3cccnc3n2)CC(=O)O)cn1.
What is the InChIKey of 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid?
The InChIKey is CINWOFULQPVZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-24-14-19(15-25-16)18(13-21(27)28)7-4-2-3-5-9-20-11-10-17-8-6-12-23-22(17)26-20/h6,8,10-12,14-15,18H,2-5,7,9,13H2,1H3,(H,27,28).
What are the key properties of 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid?
3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid has a molecular weight of 378.48 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-5-yl)-9-(1,8-naphthyridin-2-yl)nonanoic acid is sourced from PubChem (CID 59886883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).