N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C25H33N5O2 — CID 166062116

IUPACN-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)C4)cc3)c(C)n2)CC1
InChIInChI=1S/C25H33N5O2/c1-3-18-10-12-30(13-11-18)23-9-8-22(17(2)28-23)29-21-6-4-19(5-7-21)15-27-25(32)20-14-24(31)26-16-20/h4-9,18,20,29H,3,10-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUMHVBRUIZGMKIP-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.51
Rot. Bonds7

About N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166062116) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166062116
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)C4)cc3)c(C)n2)CC1
InChIInChI=1S/C25H33N5O2/c1-3-18-10-12-30(13-11-18)23-9-8-22(17(2)28-23)29-21-6-4-19(5-7-21)15-27-25(32)20-14-24(31)26-16-20/h4-9,18,20,29H,3,10-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUMHVBRUIZGMKIP-UHFFFAOYSA-N
XLogP3.51
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[3-[4-[[2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]amino]phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 166062584
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062185
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357
methyl 6-[4-(benzylcarbamoyl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133432193

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 166062116) is N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)C4)cc3)c(C)n2)CC1.
What is the InChIKey of N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UMHVBRUIZGMKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-18-10-12-30(13-11-18)23-9-8-22(17(2)28-23)29-21-6-4-19(5-7-21)15-27-25(32)20-14-24(31)26-16-20/h4-9,18,20,29H,3,10-16H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166062116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).