N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide

C44H51FFmN9O8- — CID 176579669

IUPACN-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide
SMILESCCn1cc(-c2cnc(C)c(NC(C)=O)c2)ccc1=O.Cc1ccccc1/C(Cc1ccc(F)c(C(=O)N2CCN(C(=O)CN([C-]=O)CCOCCNC=O)CC2)c1)=N\NC=O.[Fm]
InChIInChI=1S/C29H34FN6O6.C15H17N3O2.Fm/c1-22-4-2-3-5-24(22)27(33-32-20-38)17-23-6-7-26(30)25(16-23)29(41)36-11-9-35(10-12-36)28(40)18-34(21-39)13-15-42-14-8-31-19-37;1-4-18-9-12(5-6-15(18)20)13-7-14(17-11(3)19)10(2)16-8-13;/h2-7,16,19-20H,8-15,17-18H2,1H3,(H,31,37)(H,32,38);5-9H,4H2,1-3H3,(H,17,19);/q-1;;/b33-27-;;
InChIKeyCVFHYQYDHKXANN-CVGXREQNSA-N
MW1109.94 g/mol
LogP2.44
Rot. Bonds19

About N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide

N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide (PubChem CID 176579669) has the molecular formula C44H51FFmN9O8- and a molecular weight of 1109.94 g/mol. Its IUPAC name is N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide
PubChem CID176579669
Molecular FormulaC44H51FFmN9O8-
Molecular Weight1109.94 g/mol
Exact Mass1109.48
IUPAC NameN-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide
SMILESCCn1cc(-c2cnc(C)c(NC(C)=O)c2)ccc1=O.Cc1ccccc1/C(Cc1ccc(F)c(C(=O)N2CCN(C(=O)CN([C-]=O)CCOCCNC=O)CC2)c1)=N\NC=O.[Fm]
InChIInChI=1S/C29H34FN6O6.C15H17N3O2.Fm/c1-22-4-2-3-5-24(22)27(33-32-20-38)17-23-6-7-26(30)25(16-23)29(41)36-11-9-35(10-12-36)28(40)18-34(21-39)13-15-42-14-8-31-19-37;1-4-18-9-12(5-6-15(18)20)13-7-14(17-11(3)19)10(2)16-8-13;/h2-7,16,19-20H,8-15,17-18H2,1H3,(H,31,37)(H,32,38);5-9H,4H2,1-3H3,(H,17,19);/q-1;;/b33-27-;;
InChIKeyCVFHYQYDHKXANN-CVGXREQNSA-N
XLogP2.44
TPSA204.71 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms63
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.94
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide?
The IUPAC name of N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide (CID 176579669) is N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide?
The canonical SMILES for N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide is CCn1cc(-c2cnc(C)c(NC(C)=O)c2)ccc1=O.Cc1ccccc1/C(Cc1ccc(F)c(C(=O)N2CCN(C(=O)CN([C-]=O)CCOCCNC=O)CC2)c1)=N\NC=O.[Fm].
What is the InChIKey of N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide?
The InChIKey is CVFHYQYDHKXANN-CVGXREQNSA-N. The full InChI is InChI=1S/C29H34FN6O6.C15H17N3O2.Fm/c1-22-4-2-3-5-24(22)27(33-32-20-38)17-23-6-7-26(30)25(16-23)29(41)36-11-9-35(10-12-36)28(40)18-34(21-39)13-15-42-14-8-31-19-37;1-4-18-9-12(5-6-15(18)20)13-7-14(17-11(3)19)10(2)16-8-13;/h2-7,16,19-20H,8-15,17-18H2,1H3,(H,31,37)(H,32,38);5-9H,4H2,1-3H3,(H,17,19);/q-1;;/b33-27-;;.
What are the key properties of N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide?
N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide has a molecular weight of 1109.94 g/mol, XLogP of 2.44, 19 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide is sourced from PubChem (CID 176579669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).