2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide

C24H31N5O5 — CID 22943377

IUPAC2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide
SMILESC=C(N)NCCCC(C=O)NC(=O)Cn1ccc(CC(O)c2ccccc2)c(NC(C)=O)c1=O
InChIInChI=1S/C24H31N5O5/c1-16(25)26-11-6-9-20(15-30)28-22(33)14-29-12-10-19(23(24(29)34)27-17(2)31)13-21(32)18-7-4-3-5-8-18/h3-5,7-8,10,12,15,20-21,26,32H,1,6,9,11,13-14,25H2,2H3,(H,27,31)(H,28,33)
InChIKeyWLEAKSUFFVNCHI-UHFFFAOYSA-N
MW469.54 g/mol
LogP0.57
Rot. Bonds13

About 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide

2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide (PubChem CID 22943377) has the molecular formula C24H31N5O5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide
PubChem CID22943377
Molecular FormulaC24H31N5O5
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC Name2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide
SMILESC=C(N)NCCCC(C=O)NC(=O)Cn1ccc(CC(O)c2ccccc2)c(NC(C)=O)c1=O
InChIInChI=1S/C24H31N5O5/c1-16(25)26-11-6-9-20(15-30)28-22(33)14-29-12-10-19(23(24(29)34)27-17(2)31)13-21(32)18-7-4-3-5-8-18/h3-5,7-8,10,12,15,20-21,26,32H,1,6,9,11,13-14,25H2,2H3,(H,27,31)(H,28,33)
InChIKeyWLEAKSUFFVNCHI-UHFFFAOYSA-N
XLogP0.57
TPSA155.55 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 50.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(benzenesulfonamido)-2-oxo-4-(2-phenylethyl)-1-pyridinyl]-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]acetamide
CID 22943380
N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]-2-[3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]acetamide
CID 54386503
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
5-(1-aminoethenylamino)-2-[[1-(2,2-dimethylpropyl)-2-oxopyridine-3-carbonyl]amino]pentanoic acid
CID 143710062
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22943369
N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide
CID 87329807
1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
CID 125445842
(2S)-N-[(2S)-5-(carbamoylamino)-1-oxopentan-2-yl]-2,3-dimethylbutanamide
CID 157326480
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 62816167
3-[4-(aminomethyl)phenyl]-3-[[1-[(2-chlorophenyl)methyl]-4-ethyl-2-oxo-3-pyridinyl]carbamoylamino]propanoic acid
CID 151938683
2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide
CID 108997322

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide?
The IUPAC name of 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide (CID 22943377) is 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide?
The canonical SMILES for 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide is C=C(N)NCCCC(C=O)NC(=O)Cn1ccc(CC(O)c2ccccc2)c(NC(C)=O)c1=O.
What is the InChIKey of 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide?
The InChIKey is WLEAKSUFFVNCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O5/c1-16(25)26-11-6-9-20(15-30)28-22(33)14-29-12-10-19(23(24(29)34)27-17(2)31)13-21(32)18-7-4-3-5-8-18/h3-5,7-8,10,12,15,20-21,26,32H,1,6,9,11,13-14,25H2,2H3,(H,27,31)(H,28,33).
What are the key properties of 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide?
2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 0.57, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetamido-4-(2-hydroxy-2-phenylethyl)-2-oxo-1-pyridinyl]-N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 22943377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).