N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C21H22N2O3 — CID 97120628

IUPACN-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)c(=O)[nH]c1C
InChIInChI=1S/C21H22N2O3/c1-14-13-18(21(25)23-15(14)2)20(24)22-11-10-17(19-9-6-12-26-19)16-7-4-3-5-8-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)(H,23,25)/t17-/m1/s1
InChIKeyNCCCDNLVLSUBQK-QGZVFWFLSA-N
MW350.42 g/mol
LogP3.54
Rot. Bonds6

About N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 97120628) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID97120628
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)c(=O)[nH]c1C
InChIInChI=1S/C21H22N2O3/c1-14-13-18(21(25)23-15(14)2)20(24)22-11-10-17(19-9-6-12-26-19)16-7-4-3-5-8-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)(H,23,25)/t17-/m1/s1
InChIKeyNCCCDNLVLSUBQK-QGZVFWFLSA-N
XLogP3.54
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97117724
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96572832
5-(difluoromethyl)-N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449599
5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449598
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643235

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 97120628) is N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)c(=O)[nH]c1C.
What is the InChIKey of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NCCCDNLVLSUBQK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-13-18(21(25)23-15(14)2)20(24)22-11-10-17(19-9-6-12-26-19)16-7-4-3-5-8-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)(H,23,25)/t17-/m1/s1.
What are the key properties of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97120628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).