2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide

C42H53F2N5O4 — CID 91562776

IUPAC2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide
SMILESCC(C)C(C(=O)N1CCCC1)N(CCCc1cccc(F)c1)C(=O)c1ccc(C(=O)N(CCc2cccc(F)c2)C(C(=O)N2CCCC2)C(C)C)nc1
InChIInChI=1S/C42H53F2N5O4/c1-29(2)37(41(52)46-20-5-6-21-46)48(24-11-14-31-12-9-15-34(43)26-31)39(50)33-17-18-36(45-28-33)40(51)49(25-19-32-13-10-16-35(44)27-32)38(30(3)4)42(53)47-22-7-8-23-47/h9-10,12-13,15-18,26-30,37-38H,5-8,11,14,19-25H2,1-4H3
InChIKeySSBQBQFTAJBHQL-UHFFFAOYSA-N
MW729.91 g/mol
LogP6.41
Rot. Bonds15

About 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide

2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide (PubChem CID 91562776) has the molecular formula C42H53F2N5O4 and a molecular weight of 729.91 g/mol. Its IUPAC name is 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide
PubChem CID91562776
Molecular FormulaC42H53F2N5O4
Molecular Weight729.91 g/mol
Exact Mass729.41
IUPAC Name2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide
SMILESCC(C)C(C(=O)N1CCCC1)N(CCCc1cccc(F)c1)C(=O)c1ccc(C(=O)N(CCc2cccc(F)c2)C(C(=O)N2CCCC2)C(C)C)nc1
InChIInChI=1S/C42H53F2N5O4/c1-29(2)37(41(52)46-20-5-6-21-46)48(24-11-14-31-12-9-15-34(43)26-31)39(50)33-17-18-36(45-28-33)40(51)49(25-19-32-13-10-16-35(44)27-32)38(30(3)4)42(53)47-22-7-8-23-47/h9-10,12-13,15-18,26-30,37-38H,5-8,11,14,19-25H2,1-4H3
InChIKeySSBQBQFTAJBHQL-UHFFFAOYSA-N
XLogP6.41
TPSA94.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.91
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide with MolForge

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Related Compounds

1-methyl-2-N,4-N-bis[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-N,4-N-bis(3-phenylpropyl)pyridin-1-ium-2,4-dicarboxamide iodide
CID 44624845
(2R)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250771
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250770
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
CID 110608661
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 56867801
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452
1-[4-[4-(3-fluorophenyl)butan-2-yl]-1,4-diazepan-1-yl]ethanone
CID 75520090
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056065
(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95648489
1-(3-aminopiperidin-1-yl)-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119377577

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide (CID 91562776) is 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide is CC(C)C(C(=O)N1CCCC1)N(CCCc1cccc(F)c1)C(=O)c1ccc(C(=O)N(CCc2cccc(F)c2)C(C(=O)N2CCCC2)C(C)C)nc1.
What is the InChIKey of 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide?
The InChIKey is SSBQBQFTAJBHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H53F2N5O4/c1-29(2)37(41(52)46-20-5-6-21-46)48(24-11-14-31-12-9-15-34(43)26-31)39(50)33-17-18-36(45-28-33)40(51)49(25-19-32-13-10-16-35(44)27-32)38(30(3)4)42(53)47-22-7-8-23-47/h9-10,12-13,15-18,26-30,37-38H,5-8,11,14,19-25H2,1-4H3.
What are the key properties of 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide?
2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide has a molecular weight of 729.91 g/mol, XLogP of 6.41, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-fluorophenyl)ethyl]-5-N-[3-(3-fluorophenyl)propyl]-2-N,5-N-bis(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 91562776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).