2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

C24H30FN3O3 — CID 134394597

IUPAC2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
SMILESO=C(NC(CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C24H30FN3O3/c25-19-13-10-18(11-14-19)23(29)28-21(24(30)31)9-5-3-1-2-4-8-20-15-12-17-7-6-16-26-22(17)27-20/h10-15,21H,1-9,16H2,(H,26,27)(H,28,29)(H,30,31)
InChIKeyAPJYZYFIPZGHAD-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.35
Rot. Bonds11

About 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid (PubChem CID 134394597) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
PubChem CID134394597
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
SMILESO=C(NC(CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C24H30FN3O3/c25-19-13-10-18(11-14-19)23(29)28-21(24(30)31)9-5-3-1-2-4-8-20-15-12-17-7-6-16-26-22(17)27-20/h10-15,21H,1-9,16H2,(H,26,27)(H,28,29)(H,30,31)
InChIKeyAPJYZYFIPZGHAD-UHFFFAOYSA-N
XLogP4.35
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid (CID 134394597) is 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid is O=C(NC(CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
The InChIKey is APJYZYFIPZGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c25-19-13-10-18(11-14-19)23(29)28-21(24(30)31)9-5-3-1-2-4-8-20-15-12-17-7-6-16-26-22(17)27-20/h10-15,21H,1-9,16H2,(H,26,27)(H,28,29)(H,30,31).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?
2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid has a molecular weight of 427.52 g/mol, XLogP of 4.35, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid is sourced from PubChem (CID 134394597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).