5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide

C23H24N2O2 — CID 159832085

IUPAC5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1=C(c2ccccc2)CC(c2cccnc2)=C1C(C)=O
InChIInChI=1S/C23H24N2O2/c1-4-25(5-2)23(27)22-19(17-10-7-6-8-11-17)14-20(21(22)16(3)26)18-12-9-13-24-15-18/h6-13,15H,4-5,14H2,1-3H3
InChIKeyQSJZYPRAHPFBBQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.15
Rot. Bonds6

About 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide

5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide (PubChem CID 159832085) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide
PubChem CID159832085
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1=C(c2ccccc2)CC(c2cccnc2)=C1C(C)=O
InChIInChI=1S/C23H24N2O2/c1-4-25(5-2)23(27)22-19(17-10-7-6-8-11-17)14-20(21(22)16(3)26)18-12-9-13-24-15-18/h6-13,15H,4-5,14H2,1-3H3
InChIKeyQSJZYPRAHPFBBQ-UHFFFAOYSA-N
XLogP4.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
2-[1-(dipyridin-3-ylamino)ethyl]-N,N-diethyl-3-phenylbenzamide
CID 67007975
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 134393257
N,N-diethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166249777
N,N-diphenyl-6-pyridin-3-ylpyridin-3-amine
CID 15982920
1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084
(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid
CID 67499797
CID 174412487
CID 174412487
N,N-diethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 69242057
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide (CID 159832085) is 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide is CCN(CC)C(=O)C1=C(c2ccccc2)CC(c2cccnc2)=C1C(C)=O.
What is the InChIKey of 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide?
The InChIKey is QSJZYPRAHPFBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-4-25(5-2)23(27)22-19(17-10-7-6-8-11-17)14-20(21(22)16(3)26)18-12-9-13-24-15-18/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide?
5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 159832085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).