4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide

C24H24F2N4O2 — CID 170775026

IUPAC4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)c(F)c4F)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H24F2N4O2/c1-3-15-11-19-20(29-23(15)31)10-14(12-28-19)13-30-8-6-16(7-9-30)17-4-5-18(24(32)27-2)22(26)21(17)25/h4-6,10-12H,3,7-9,13H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyHHWPBOYBPLWNPD-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.41
Rot. Bonds5

About 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide

4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide (PubChem CID 170775026) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide
PubChem CID170775026
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)c(F)c4F)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H24F2N4O2/c1-3-15-11-19-20(29-23(15)31)10-14(12-28-19)13-30-8-6-16(7-9-30)17-4-5-18(24(32)27-2)22(26)21(17)25/h4-6,10-12H,3,7-9,13H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyHHWPBOYBPLWNPD-UHFFFAOYSA-N
XLogP3.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide?
The IUPAC name of 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide (CID 170775026) is 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide is CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)c(F)c4F)CC3)cc2[nH]c1=O.
What is the InChIKey of 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide?
The InChIKey is HHWPBOYBPLWNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-3-15-11-19-20(29-23(15)31)10-14(12-28-19)13-30-8-6-16(7-9-30)17-4-5-18(24(32)27-2)22(26)21(17)25/h4-6,10-12H,3,7-9,13H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide?
4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide has a molecular weight of 438.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 170775026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).