N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide

C24H28N6O3 — CID 92639580

IUPACN-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1noc(CCC(=O)N2CCCC[C@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)n1
InChIInChI=1S/C24H28N6O3/c1-16-19(24(32)26-14-18-8-4-3-5-9-18)15-25-23(27-16)20-10-6-7-13-30(20)22(31)12-11-21-28-17(2)29-33-21/h3-5,8-9,15,20H,6-7,10-14H2,1-2H3,(H,26,32)/t20-/m0/s1
InChIKeySKIOVOFZQFDHKU-FQEVSTJZSA-N
MW448.53 g/mol
LogP3.09
Rot. Bonds7

About N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide

N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92639580) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID92639580
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1noc(CCC(=O)N2CCCC[C@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)n1
InChIInChI=1S/C24H28N6O3/c1-16-19(24(32)26-14-18-8-4-3-5-9-18)15-25-23(27-16)20-10-6-7-13-30(20)22(31)12-11-21-28-17(2)29-33-21/h3-5,8-9,15,20H,6-7,10-14H2,1-2H3,(H,26,32)/t20-/m0/s1
InChIKeySKIOVOFZQFDHKU-FQEVSTJZSA-N
XLogP3.09
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide (CID 92639580) is N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide is Cc1noc(CCC(=O)N2CCCC[C@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)n1.
What is the InChIKey of N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is SKIOVOFZQFDHKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-19(24(32)26-14-18-8-4-3-5-9-18)15-25-23(27-16)20-10-6-7-13-30(20)22(31)12-11-21-28-17(2)29-33-21/h3-5,8-9,15,20H,6-7,10-14H2,1-2H3,(H,26,32)/t20-/m0/s1.
What are the key properties of N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide?
N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92639580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).