2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide

C23H16ClF2N3O2 — CID 11442018

IUPAC2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)c1cc(-c2cccc(Cl)c2)nc2ccncc12
InChIInChI=1S/C23H16ClF2N3O2/c24-16-5-2-4-15(10-16)21-11-18(19-13-27-8-7-20(19)29-21)22(30)28-12-14-3-1-6-17(9-14)31-23(25)26/h1-11,13,23H,12H2,(H,28,30)
InChIKeyYSOHFFXSRTZDBS-UHFFFAOYSA-N
MW439.85 g/mol
LogP5.48
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide

2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide (PubChem CID 11442018) has the molecular formula C23H16ClF2N3O2 and a molecular weight of 439.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide
PubChem CID11442018
Molecular FormulaC23H16ClF2N3O2
Molecular Weight439.85 g/mol
Exact Mass439.09
IUPAC Name2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)c1cc(-c2cccc(Cl)c2)nc2ccncc12
InChIInChI=1S/C23H16ClF2N3O2/c24-16-5-2-4-15(10-16)21-11-18(19-13-27-8-7-20(19)29-21)22(30)28-12-14-3-1-6-17(9-14)31-23(25)26/h1-11,13,23H,12H2,(H,28,30)
InChIKeyYSOHFFXSRTZDBS-UHFFFAOYSA-N
XLogP5.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.85
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide (CID 11442018) is 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide is O=C(NCc1cccc(OC(F)F)c1)c1cc(-c2cccc(Cl)c2)nc2ccncc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide?
The InChIKey is YSOHFFXSRTZDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3O2/c24-16-5-2-4-15(10-16)21-11-18(19-13-27-8-7-20(19)29-21)22(30)28-12-14-3-1-6-17(9-14)31-23(25)26/h1-11,13,23H,12H2,(H,28,30).
What are the key properties of 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide?
2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide has a molecular weight of 439.85 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[[3-(difluoromethoxy)phenyl]methyl]-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 11442018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).