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

C16H11F2N3O2 — CID 86296470

IUPAC7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C16H11F2N3O2/c17-12-2-1-9(3-13(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)
InChIKeyQCMZKZRSKLBTEB-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.59
Rot. Bonds4

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

7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide (PubChem CID 86296470) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
PubChem CID86296470
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C16H11F2N3O2/c17-12-2-1-9(3-13(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)
InChIKeyQCMZKZRSKLBTEB-UHFFFAOYSA-N
XLogP2.59
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide (CID 86296470) is 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide is NC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.
What is the InChIKey of 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The InChIKey is QCMZKZRSKLBTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-12-2-1-9(3-13(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-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide has a molecular weight of 315.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 86296470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).