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

C20H25N7O2S — CID 91950750

IUPAC1-[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
SMILESCCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)NCc3csc(C)n3)C2)n1
InChIInChI=1S/C20H25N7O2S/c1-4-17-25-20(29-26-17)16-9-21-12(2)23-18(16)27-7-5-6-14(10-27)19(28)22-8-15-11-30-13(3)24-15/h9,11,14H,4-8,10H2,1-3H3,(H,22,28)
InChIKeyNPTJOARYFGYZQF-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.70
Rot. Bonds6

About 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

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 (PubChem CID 91950750) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID91950750
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name1-[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
SMILESCCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)NCc3csc(C)n3)C2)n1
InChIInChI=1S/C20H25N7O2S/c1-4-17-25-20(29-26-17)16-9-21-12(2)23-18(16)27-7-5-6-14(10-27)19(28)22-8-15-11-30-13(3)24-15/h9,11,14H,4-8,10H2,1-3H3,(H,22,28)
InChIKeyNPTJOARYFGYZQF-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91950660
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide
CID 91950744
N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950711
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
N-[2-(1H-indol-3-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950706
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950727
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide
CID 91950648
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)NCc3csc(C)n3)C2)n1.
What is the InChIKey of 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?
The InChIKey is NPTJOARYFGYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-4-17-25-20(29-26-17)16-9-21-12(2)23-18(16)27-7-5-6-14(10-27)19(28)22-8-15-11-30-13(3)24-15/h9,11,14H,4-8,10H2,1-3H3,(H,22,28).
What are the key properties of 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?
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 has a molecular weight of 427.53 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91950750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).