N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

C25H27FN4O5 — CID 27451838

IUPACN-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCc2ccc(F)cc2)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O
InChIInChI=1S/C25H27FN4O5/c1-34-23-16-30(17-24(32)27-14-18-4-6-19(26)7-5-18)20(13-21(23)31)15-28-8-10-29(11-9-28)25(33)22-3-2-12-35-22/h2-7,12-13,16H,8-11,14-15,17H2,1H3,(H,27,32)
InChIKeyMMMIMLZURCNGFR-UHFFFAOYSA-N
MW482.51 g/mol
LogP1.86
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 27451838) has the molecular formula C25H27FN4O5 and a molecular weight of 482.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID27451838
Molecular FormulaC25H27FN4O5
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCc2ccc(F)cc2)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O
InChIInChI=1S/C25H27FN4O5/c1-34-23-16-30(17-24(32)27-14-18-4-6-19(26)7-5-18)20(13-21(23)31)15-28-8-10-29(11-9-28)25(33)22-3-2-12-35-22/h2-7,12-13,16H,8-11,14-15,17H2,1H3,(H,27,32)
InChIKeyMMMIMLZURCNGFR-UHFFFAOYSA-N
XLogP1.86
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
CID 30544573
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27451889
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
CID 30544629
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
CID 18566942
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 27369068

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 27451838) is N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NCc2ccc(F)cc2)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is MMMIMLZURCNGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O5/c1-34-23-16-30(17-24(32)27-14-18-4-6-19(26)7-5-18)20(13-21(23)31)15-28-8-10-29(11-9-28)25(33)22-3-2-12-35-22/h2-7,12-13,16H,8-11,14-15,17H2,1H3,(H,27,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 482.51 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27451838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).