6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C21H21F2N5O4 — CID 166831179

IUPAC6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1cc2cc(-c3ccc(OC(F)F)cn3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C21H21F2N5O4/c22-21(23)32-15-1-2-17(25-12-15)14-9-13-10-16(18(24)29)20(30)28(19(13)26-11-14)4-3-27-5-7-31-8-6-27/h1-2,9-12,21H,3-8H2,(H2,24,29)
InChIKeyFDLOBEBJYHVRRA-UHFFFAOYSA-N
MW445.43 g/mol
LogP1.49
Rot. Bonds7

About 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831179) has the molecular formula C21H21F2N5O4 and a molecular weight of 445.43 g/mol. Its IUPAC name is 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831179
Molecular FormulaC21H21F2N5O4
Molecular Weight445.43 g/mol
Exact Mass445.16
IUPAC Name6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1cc2cc(-c3ccc(OC(F)F)cn3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C21H21F2N5O4/c22-21(23)32-15-1-2-17(25-12-15)14-9-13-10-16(18(24)29)20(30)28(19(13)26-11-14)4-3-27-5-7-31-8-6-27/h1-2,9-12,21H,3-8H2,(H2,24,29)
InChIKeyFDLOBEBJYHVRRA-UHFFFAOYSA-N
XLogP1.49
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831179) is 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is NC(=O)c1cc2cc(-c3ccc(OC(F)F)cn3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FDLOBEBJYHVRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O4/c22-21(23)32-15-1-2-17(25-12-15)14-9-13-10-16(18(24)29)20(30)28(19(13)26-11-14)4-3-27-5-7-31-8-6-27/h1-2,9-12,21H,3-8H2,(H2,24,29).
What are the key properties of 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).