4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide

C22H21FN4O — CID 162656812

IUPAC4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cccnc1
InChIInChI=1S/C22H21FN4O/c1-15(25-22(28)16-6-8-17(23)9-7-16)19-10-11-21-20(26-19)5-3-13-27(21)18-4-2-12-24-14-18/h2,4,6-12,14-15H,3,5,13H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyOIAOIEZZDLIPRB-OAHLLOKOSA-N
MW376.44 g/mol
LogP4.19
Rot. Bonds4

About 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide

4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide (PubChem CID 162656812) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide
PubChem CID162656812
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cccnc1
InChIInChI=1S/C22H21FN4O/c1-15(25-22(28)16-6-8-17(23)9-7-16)19-10-11-21-20(26-19)5-3-13-27(21)18-4-2-12-24-14-18/h2,4,6-12,14-15H,3,5,13H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyOIAOIEZZDLIPRB-OAHLLOKOSA-N
XLogP4.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide (CID 162656812) is 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cccnc1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
The InChIKey is OIAOIEZZDLIPRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15(25-22(28)16-6-8-17(23)9-7-16)19-10-11-21-20(26-19)5-3-13-27(21)18-4-2-12-24-14-18/h2,4,6-12,14-15H,3,5,13H2,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-(5-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide is sourced from PubChem (CID 162656812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).