1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H25N7O2S — CID 91950689

IUPAC1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3nc(C)cs3)CC2)n1
InChIInChI=1S/C20H25N7O2S/c1-4-5-16-24-19(29-26-16)15-10-21-13(3)23-17(15)27-8-6-14(7-9-27)18(28)25-20-22-12(2)11-30-20/h10-11,14H,4-9H2,1-3H3,(H,22,25,28)
InChIKeyHIUAYGCHZDCIPL-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.41
Rot. Bonds6

About 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 91950689) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID91950689
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3nc(C)cs3)CC2)n1
InChIInChI=1S/C20H25N7O2S/c1-4-5-16-24-19(29-26-16)15-10-21-13(3)23-17(15)27-8-6-14(7-9-27)18(28)25-20-22-12(2)11-30-20/h10-11,14H,4-9H2,1-3H3,(H,22,25,28)
InChIKeyHIUAYGCHZDCIPL-UHFFFAOYSA-N
XLogP3.41
TPSA109.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91950693
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91950660
3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 91950692
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide
CID 91950648
N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91950681
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 91950746
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 91950743
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 91950750
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 30273244
N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91950637
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide
CID 91950744
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951258

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 91950689) is 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3nc(C)cs3)CC2)n1.
What is the InChIKey of 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is HIUAYGCHZDCIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-4-5-16-24-19(29-26-16)15-10-21-13(3)23-17(15)27-8-6-14(7-9-27)18(28)25-20-22-12(2)11-30-20/h10-11,14H,4-9H2,1-3H3,(H,22,25,28).
What are the key properties of 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91950689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).