7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide

C16H11ClFN3O2 — CID 86296657

IUPAC7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1
InChIInChI=1S/C16H11ClFN3O2/c17-12-3-9(1-2-13(12)18)8-23-11-5-15-14(21-7-11)4-10(6-20-15)16(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyCEAYLXHUHJJEKH-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.10
Rot. Bonds4

About 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide

7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide (PubChem CID 86296657) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
PubChem CID86296657
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC Name7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1
InChIInChI=1S/C16H11ClFN3O2/c17-12-3-9(1-2-13(12)18)8-23-11-5-15-14(21-7-11)4-10(6-20-15)16(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyCEAYLXHUHJJEKH-UHFFFAOYSA-N
XLogP3.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide (CID 86296657) is 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide is NC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1.
What is the InChIKey of 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The InChIKey is CEAYLXHUHJJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c17-12-3-9(1-2-13(12)18)8-23-11-5-15-14(21-7-11)4-10(6-20-15)16(19)22/h1-7H,8H2,(H2,19,22).
What are the key properties of 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide has a molecular weight of 331.73 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 86296657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).