N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide

C24H29N5O3 — CID 92639592

IUPACN-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H29N5O3/c1-17-19(24(32)26-14-18-8-3-2-4-9-18)15-25-23(27-17)20-10-5-6-13-29(20)22(31)16-28-12-7-11-21(28)30/h2-4,8-9,15,20H,5-7,10-14,16H2,1H3,(H,26,32)/t20-/m1/s1
InChIKeyOBWUOHQPUQWLMY-HXUWFJFHSA-N
MW435.53 g/mol
LogP2.39
Rot. Bonds6

About N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide

N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92639592) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID92639592
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H29N5O3/c1-17-19(24(32)26-14-18-8-3-2-4-9-18)15-25-23(27-17)20-10-5-6-13-29(20)22(31)16-28-12-7-11-21(28)30/h2-4,8-9,15,20H,5-7,10-14,16H2,1H3,(H,26,32)/t20-/m1/s1
InChIKeyOBWUOHQPUQWLMY-HXUWFJFHSA-N
XLogP2.39
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide (CID 92639592) is N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is OBWUOHQPUQWLMY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17-19(24(32)26-14-18-8-3-2-4-9-18)15-25-23(27-17)20-10-5-6-13-29(20)22(31)16-28-12-7-11-21(28)30/h2-4,8-9,15,20H,5-7,10-14,16H2,1H3,(H,26,32)/t20-/m1/s1.
What are the key properties of N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide?
N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92639592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).