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

C21H20FN5O — CID 162651892

IUPAC4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ncccn1
InChIInChI=1S/C21H20FN5O/c1-14(25-20(28)15-5-7-16(22)8-6-15)17-9-10-19-18(26-17)4-2-13-27(19)21-23-11-3-12-24-21/h3,5-12,14H,2,4,13H2,1H3,(H,25,28)/t14-/m1/s1
InChIKeyXWOLNRKBPYXMTC-CQSZACIVSA-N
MW377.42 g/mol
LogP3.59
Rot. Bonds4

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

4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide (PubChem CID 162651892) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide
PubChem CID162651892
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ncccn1
InChIInChI=1S/C21H20FN5O/c1-14(25-20(28)15-5-7-16(22)8-6-15)17-9-10-19-18(26-17)4-2-13-27(19)21-23-11-3-12-24-21/h3,5-12,14H,2,4,13H2,1H3,(H,25,28)/t14-/m1/s1
InChIKeyXWOLNRKBPYXMTC-CQSZACIVSA-N
XLogP3.59
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide (CID 162651892) is 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ncccn1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
The InChIKey is XWOLNRKBPYXMTC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-14(25-20(28)15-5-7-16(22)8-6-15)17-9-10-19-18(26-17)4-2-13-27(19)21-23-11-3-12-24-21/h3,5-12,14H,2,4,13H2,1H3,(H,25,28)/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide?
4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-(5-pyrimidin-2-yl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide is sourced from PubChem (CID 162651892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).