N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide

C25H28N4O4 — CID 37214062

IUPACN-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)c1C
InChIInChI=1S/C25H28N4O4/c1-18-6-5-7-21(19(18)2)26-23(30)17-27-12-14-28(15-13-27)25(32)22-10-9-20(33-22)16-29-11-4-3-8-24(29)31/h3-11H,12-17H2,1-2H3,(H,26,30)
InChIKeyMBOFCNHEMKOKRN-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.50
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 37214062) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID37214062
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)c1C
InChIInChI=1S/C25H28N4O4/c1-18-6-5-7-21(19(18)2)26-23(30)17-27-12-14-28(15-13-27)25(32)22-10-9-20(33-22)16-29-11-4-3-8-24(29)31/h3-11H,12-17H2,1-2H3,(H,26,30)
InChIKeyMBOFCNHEMKOKRN-UHFFFAOYSA-N
XLogP2.50
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

1-[[5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 134024817
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 71899552
N-(2,3-dimethylphenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17464926
1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 124589659
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 75446828
N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27859694
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9435201
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide (CID 37214062) is N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is MBOFCNHEMKOKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-18-6-5-7-21(19(18)2)26-23(30)17-27-12-14-28(15-13-27)25(32)22-10-9-20(33-22)16-29-11-4-3-8-24(29)31/h3-11H,12-17H2,1-2H3,(H,26,30).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 37214062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).