N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C24H32N6O2 — CID 110217352

IUPACN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC2CCC(c3nc(N(C)C)ncc3-c3ccccn3)CC2)CC1=O
InChIInChI=1S/C24H32N6O2/c1-29(2)24-27-14-19(20-6-4-5-11-25-20)22(28-24)17-9-7-16(8-10-17)13-26-23(32)18-12-21(31)30(3)15-18/h4-6,11,14,16-18H,7-10,12-13,15H2,1-3H3,(H,26,32)
InChIKeyZLJDMNZJZNORDM-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.47
Rot. Bonds6

About N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 110217352) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID110217352
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC2CCC(c3nc(N(C)C)ncc3-c3ccccn3)CC2)CC1=O
InChIInChI=1S/C24H32N6O2/c1-29(2)24-27-14-19(20-6-4-5-11-25-20)22(28-24)17-9-7-16(8-10-17)13-26-23(32)18-12-21(31)30(3)15-18/h4-6,11,14,16-18H,7-10,12-13,15H2,1-3H3,(H,26,32)
InChIKeyZLJDMNZJZNORDM-UHFFFAOYSA-N
XLogP2.47
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 110217352) is N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCC2CCC(c3nc(N(C)C)ncc3-c3ccccn3)CC2)CC1=O.
What is the InChIKey of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZLJDMNZJZNORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-29(2)24-27-14-19(20-6-4-5-11-25-20)22(28-24)17-9-7-16(8-10-17)13-26-23(32)18-12-21(31)30(3)15-18/h4-6,11,14,16-18H,7-10,12-13,15H2,1-3H3,(H,26,32).
What are the key properties of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110217352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).