5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide

C24H32N6O2 — CID 166062227

IUPAC5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCCC1CCN(c2ncc(Nc3ccc(CNC(=O)C4CNC(=O)C4)cc3)cn2)CC1
InChIInChI=1S/C24H32N6O2/c1-2-3-17-8-10-30(11-9-17)24-27-15-21(16-28-24)29-20-6-4-18(5-7-20)13-26-23(32)19-12-22(31)25-14-19/h4-7,15-17,19,29H,2-3,8-14H2,1H3,(H,25,31)(H,26,32)
InChIKeyZJFBHANQDZPPOU-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.99
Rot. Bonds8

About 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide

5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 166062227) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID166062227
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCCC1CCN(c2ncc(Nc3ccc(CNC(=O)C4CNC(=O)C4)cc3)cn2)CC1
InChIInChI=1S/C24H32N6O2/c1-2-3-17-8-10-30(11-9-17)24-27-15-21(16-28-24)29-20-6-4-18(5-7-20)13-26-23(32)19-12-22(31)25-14-19/h4-7,15-17,19,29H,2-3,8-14H2,1H3,(H,25,31)(H,26,32)
InChIKeyZJFBHANQDZPPOU-UHFFFAOYSA-N
XLogP2.99
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062112
N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062116
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-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752996
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
CID 168753006
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide (CID 166062227) is 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide is CCCC1CCN(c2ncc(Nc3ccc(CNC(=O)C4CNC(=O)C4)cc3)cn2)CC1.
What is the InChIKey of 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is ZJFBHANQDZPPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-2-3-17-8-10-30(11-9-17)24-27-15-21(16-28-24)29-20-6-4-18(5-7-20)13-26-23(32)19-12-22(31)25-14-19/h4-7,15-17,19,29H,2-3,8-14H2,1H3,(H,25,31)(H,26,32).
What are the key properties of 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide?
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166062227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).