N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide

C27H30N4O3 — CID 11733202

IUPACN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(/C=C/c2ncccc2C(=O)NC(Cc2ccccc2)C(O)C(N)=O)cc1
InChIInChI=1S/C27H30N4O3/c1-31(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-29-23)27(34)30-24(25(32)26(28)33)17-20-7-4-3-5-8-20/h3-16,24-25,32H,17-18H2,1-2H3,(H2,28,33)(H,30,34)/b15-14+
InChIKeyVWWMLHXMXATRBE-CCEZHUSRSA-N
MW458.56 g/mol
LogP2.50
Rot. Bonds10

About N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide

N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide (PubChem CID 11733202) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
PubChem CID11733202
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(/C=C/c2ncccc2C(=O)NC(Cc2ccccc2)C(O)C(N)=O)cc1
InChIInChI=1S/C27H30N4O3/c1-31(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-29-23)27(34)30-24(25(32)26(28)33)17-20-7-4-3-5-8-20/h3-16,24-25,32H,17-18H2,1-2H3,(H2,28,33)(H,30,34)/b15-14+
InChIKeyVWWMLHXMXATRBE-CCEZHUSRSA-N
XLogP2.50
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]pyridine-3-carboxamide
CID 66996094
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine
CID 67215511
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
CID 91158500
N-(1-amino-1,2-dioxoheptan-3-yl)-2-[2-[4-(diethylaminomethyl)phenyl]ethenyl]pyridine-3-carboxamide
CID 67215550
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 134396791
N-benzyl-3-[2-hydroxy-3-[(2-methylpyridine-3-carbonyl)amino]-4-phenylbutanoyl]-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide
CID 22311433
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
CID 153386321
2-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzoic acid
CID 66996652
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide
CID 164775131
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide (CID 11733202) is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide is CN(C)Cc1ccc(/C=C/c2ncccc2C(=O)NC(Cc2ccccc2)C(O)C(N)=O)cc1.
What is the InChIKey of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide?
The InChIKey is VWWMLHXMXATRBE-CCEZHUSRSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-31(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-29-23)27(34)30-24(25(32)26(28)33)17-20-7-4-3-5-8-20/h3-16,24-25,32H,17-18H2,1-2H3,(H2,28,33)(H,30,34)/b15-14+.
What are the key properties of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide?
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 2.50, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11733202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).