N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide

C23H24FN3O2 — CID 92570006

IUPACN-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)c1cc(C2CCOCC2)c2cnccc2n1
InChIInChI=1S/C23H24FN3O2/c24-18-5-3-16(4-6-18)2-1-10-26-23(28)22-14-19(17-8-12-29-13-9-17)20-15-25-11-7-21(20)27-22/h3-7,11,14-15,17H,1-2,8-10,12-13H2,(H,26,28)
InChIKeyADXVZLWRTKJTCH-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.03
Rot. Bonds6

About N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide

N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide (PubChem CID 92570006) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
PubChem CID92570006
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)c1cc(C2CCOCC2)c2cnccc2n1
InChIInChI=1S/C23H24FN3O2/c24-18-5-3-16(4-6-18)2-1-10-26-23(28)22-14-19(17-8-12-29-13-9-17)20-15-25-11-7-21(20)27-22/h3-7,11,14-15,17H,1-2,8-10,12-13H2,(H,26,28)
InChIKeyADXVZLWRTKJTCH-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
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 N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide (CID 92570006) is N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide is O=C(NCCCc1ccc(F)cc1)c1cc(C2CCOCC2)c2cnccc2n1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is ADXVZLWRTKJTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-18-5-3-16(4-6-18)2-1-10-26-23(28)22-14-19(17-8-12-29-13-9-17)20-15-25-11-7-21(20)27-22/h3-7,11,14-15,17H,1-2,8-10,12-13H2,(H,26,28).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 92570006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).