3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene

C27H28FN3O6 — CID 143234616

IUPAC3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene
SMILESCc1cc(NC(=O)c2ccccc2)c(=O)n(CC(=O)NC(CC(=O)O)C(=O)CF)c1.Cc1ccccc1
InChIInChI=1S/C20H20FN3O6.C7H8/c1-12-7-15(23-19(29)13-5-3-2-4-6-13)20(30)24(10-12)11-17(26)22-14(8-18(27)28)16(25)9-21;1-7-5-3-2-4-6-7/h2-7,10,14H,8-9,11H2,1H3,(H,22,26)(H,23,29)(H,27,28);2-6H,1H3
InChIKeySRLWQQRWHCMAEP-UHFFFAOYSA-N
MW509.53 g/mol
LogP2.90
Rot. Bonds9

About 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene

3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene (PubChem CID 143234616) has the molecular formula C27H28FN3O6 and a molecular weight of 509.53 g/mol. Its IUPAC name is 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene.

Molecular Properties

Compound Name3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene
PubChem CID143234616
Molecular FormulaC27H28FN3O6
Molecular Weight509.53 g/mol
Exact Mass509.20
IUPAC Name3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene
SMILESCc1cc(NC(=O)c2ccccc2)c(=O)n(CC(=O)NC(CC(=O)O)C(=O)CF)c1.Cc1ccccc1
InChIInChI=1S/C20H20FN3O6.C7H8/c1-12-7-15(23-19(29)13-5-3-2-4-6-13)20(30)24(10-12)11-17(26)22-14(8-18(27)28)16(25)9-21;1-7-5-3-2-4-6-7/h2-7,10,14H,8-9,11H2,1H3,(H,22,26)(H,23,29)(H,27,28);2-6H,1H3
InChIKeySRLWQQRWHCMAEP-UHFFFAOYSA-N
XLogP2.90
TPSA134.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene with MolForge

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Launch Full Analysis

Related Compounds

3-[2-(3-benzamido-2-oxo-1-pyridinyl)butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 72958408
(3S)-3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-4-phenylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 87115222
3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-thiophen-2-ylpropanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 11720249
N-[2-[2-(3-fluoroanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]benzamide
CID 50812935
ethane;5-fluoro-3-[[2-[2-(2-methylanilino)prop-2-enoylamino]acetyl]amino]-4-oxopentanoic acid
CID 143150401
2-[5-benzamido-2-(3-bromophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10159611
2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene
CID 139198275
5-fluoro-4-oxo-3-[[(2R)-2-[2-oxo-3-[(2-phenylacetyl)amino]-1-pyridinyl]butanoyl]amino]pentanoic acid
CID 135830884
5-fluoro-3-[[(2S)-3-methyl-2-[2-oxo-3-(propanoylamino)-1-pyridinyl]butanoyl]amino]-4-oxopentanoic acid
CID 11749857
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 3231706
N-(1,5-dimethyl-2-oxo-3-pyridinyl)-5-phenylpyridine-3-carboxamide
CID 154801805

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene?
The IUPAC name of 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene (CID 143234616) is 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene.
What is the SMILES notation for 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene?
The canonical SMILES for 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene is Cc1cc(NC(=O)c2ccccc2)c(=O)n(CC(=O)NC(CC(=O)O)C(=O)CF)c1.Cc1ccccc1.
What is the InChIKey of 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene?
The InChIKey is SRLWQQRWHCMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O6.C7H8/c1-12-7-15(23-19(29)13-5-3-2-4-6-13)20(30)24(10-12)11-17(26)22-14(8-18(27)28)16(25)9-21;1-7-5-3-2-4-6-7/h2-7,10,14H,8-9,11H2,1H3,(H,22,26)(H,23,29)(H,27,28);2-6H,1H3.
What are the key properties of 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene?
3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene has a molecular weight of 509.53 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-benzamido-5-methyl-2-oxo-1-pyridinyl)acetyl]amino]-5-fluoro-4-oxopentanoic acid;toluene is sourced from PubChem (CID 143234616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).