N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide

C23H24N2O3 — CID 170505081

IUPACN,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C23H24N2O3/c1-16-15-20(10-9-18-7-5-4-6-8-18)28-23(27)21(16)22(26)25(3)17(2)19-11-13-24-14-12-19/h4-8,11-15,17H,9-10H2,1-3H3
InChIKeyFPJKVZBZVFBDAY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.96
Rot. Bonds6

About N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide

N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide (PubChem CID 170505081) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide
PubChem CID170505081
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C23H24N2O3/c1-16-15-20(10-9-18-7-5-4-6-8-18)28-23(27)21(16)22(26)25(3)17(2)19-11-13-24-14-12-19/h4-8,11-15,17H,9-10H2,1-3H3
InChIKeyFPJKVZBZVFBDAY-UHFFFAOYSA-N
XLogP3.96
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170509345
4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502781
N-(6-hydroxy-6-methylheptan-2-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169414908
4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169411131
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505989
3-[(3S,4S)-3-hydroxy-4-methoxypyrrolidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170507731
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170513030
N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170508061
4-methyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-6-(2-phenylethyl)pyran-2-one
CID 170507907
4-methyl-6-(3-phenylpropyl)-3-[(3S,5S)-3,4,5-trimethylpiperazine-1-carbonyl]pyran-2-one
CID 170508486
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide?
The IUPAC name of N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide (CID 170505081) is N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide?
The canonical SMILES for N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide is Cc1cc(CCc2ccccc2)oc(=O)c1C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide?
The InChIKey is FPJKVZBZVFBDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-15-20(10-9-18-7-5-4-6-8-18)28-23(27)21(16)22(26)25(3)17(2)19-11-13-24-14-12-19/h4-8,11-15,17H,9-10H2,1-3H3.
What are the key properties of N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide?
N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide is sourced from PubChem (CID 170505081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).