N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C25H31FN4O2 — CID 166062487

IUPACN-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C)CC2)cc(F)c1Nc1ccc(CNC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C25H31FN4O2/c1-16-7-9-30(10-8-16)21-11-17(2)24(22(26)13-21)29-20-5-3-18(4-6-20)14-28-25(32)19-12-23(31)27-15-19/h3-6,11,13,16,19,29H,7-10,12,14-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyVYZLUVPFRBAHFQ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.87
Rot. Bonds6

About N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166062487) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166062487
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC NameN-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C)CC2)cc(F)c1Nc1ccc(CNC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C25H31FN4O2/c1-16-7-9-30(10-8-16)21-11-17(2)24(22(26)13-21)29-20-5-3-18(4-6-20)14-28-25(32)19-12-23(31)27-15-19/h3-6,11,13,16,19,29H,7-10,12,14-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyVYZLUVPFRBAHFQ-UHFFFAOYSA-N
XLogP3.87
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180091
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062307
N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062185
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062116
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 170180087
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
CID 166062071
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 166062487) is N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CCC(C)CC2)cc(F)c1Nc1ccc(CNC(=O)C2CNC(=O)C2)cc1.
What is the InChIKey of N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VYZLUVPFRBAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-16-7-9-30(10-8-16)21-11-17(2)24(22(26)13-21)29-20-5-3-18(4-6-20)14-28-25(32)19-12-23(31)27-15-19/h3-6,11,13,16,19,29H,7-10,12,14-15H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166062487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).