N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C21H23N3O3 — CID 97149555

IUPACN-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)N(C)C)o1
InChIInChI=1S/C21H23N3O3/c1-14-9-12-19(27-14)18(24(2)3)13-22-20(25)16-10-11-17(23-21(16)26)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyVBSPGUUMXILYHR-SFHVURJKSA-N
MW365.43 g/mol
LogP2.98
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 97149555) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID97149555
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)N(C)C)o1
InChIInChI=1S/C21H23N3O3/c1-14-9-12-19(27-14)18(24(2)3)13-22-20(25)16-10-11-17(23-21(16)26)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyVBSPGUUMXILYHR-SFHVURJKSA-N
XLogP2.98
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97146618
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 72873095
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111483420
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 97149555) is N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is Cc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)N(C)C)o1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is VBSPGUUMXILYHR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-9-12-19(27-14)18(24(2)3)13-22-20(25)16-10-11-17(23-21(16)26)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97149555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).