2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide

C28H32FN5O2 — CID 20641807

IUPAC2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1c(C2CC2)ccc(NCc2ccc3c(n2)NCCC3)c1=O)c1cccc(F)c1
InChIInChI=1S/C28H32FN5O2/c1-2-23(20-5-3-7-21(29)15-20)33-26(35)17-34-25(18-8-9-18)13-12-24(28(34)36)31-16-22-11-10-19-6-4-14-30-27(19)32-22/h3,5,7,10-13,15,18,23,31H,2,4,6,8-9,14,16-17H2,1H3,(H,30,32)(H,33,35)
InChIKeyFUGBSKXFHKAVHW-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.50
Rot. Bonds9

About 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide

2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide (PubChem CID 20641807) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide
PubChem CID20641807
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC Name2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1c(C2CC2)ccc(NCc2ccc3c(n2)NCCC3)c1=O)c1cccc(F)c1
InChIInChI=1S/C28H32FN5O2/c1-2-23(20-5-3-7-21(29)15-20)33-26(35)17-34-25(18-8-9-18)13-12-24(28(34)36)31-16-22-11-10-19-6-4-14-30-27(19)32-22/h3,5,7,10-13,15,18,23,31H,2,4,6,8-9,14,16-17H2,1H3,(H,30,32)(H,33,35)
InChIKeyFUGBSKXFHKAVHW-UHFFFAOYSA-N
XLogP4.50
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide with MolForge

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Related Compounds

(2S)-2-(3-fluorophenyl)-3-[[(3S)-3-(3-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)propanoyl]amino]propanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 159842418
3-(3-fluorophenyl)-5-oxo-5-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]hydrazinyl]pentanoic acid
CID 59988687
(2S)-2-(3-fluorophenyl)-3-[[2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]acetyl]amino]propanoic acid
CID 54303619
ethyl (3S)-3-[[2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate
CID 86754780
N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide
CID 20641863
N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide
CID 20691582
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67267469
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
ethyl 2-[[1-(3-fluorophenyl)sulfonylazetidine-3-carbonyl]amino]-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate
CID 162436171
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoic acid
CID 139450718
1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887060

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide (CID 20641807) is 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide is CCC(NC(=O)Cn1c(C2CC2)ccc(NCc2ccc3c(n2)NCCC3)c1=O)c1cccc(F)c1.
What is the InChIKey of 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide?
The InChIKey is FUGBSKXFHKAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-2-23(20-5-3-7-21(29)15-20)33-26(35)17-34-25(18-8-9-18)13-12-24(28(34)36)31-16-22-11-10-19-6-4-14-30-27(19)32-22/h3,5,7,10-13,15,18,23,31H,2,4,6,8-9,14,16-17H2,1H3,(H,30,32)(H,33,35).
What are the key properties of 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide?
2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 4.50, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-N-[1-(3-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 20641807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).