1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide

C24H25N7O2 — CID 91950648

IUPAC1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide
SMILESCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3cccc4ncccc34)CC2)n1
InChIInChI=1S/C24H25N7O2/c1-3-21-29-24(33-30-21)18-14-26-15(2)27-22(18)31-12-9-16(10-13-31)23(32)28-20-8-4-7-19-17(20)6-5-11-25-19/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,28,32)
InChIKeyQRDCRTHVYDYGRD-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.80
Rot. Bonds5

About 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide

1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide (PubChem CID 91950648) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide
PubChem CID91950648
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide
SMILESCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3cccc4ncccc34)CC2)n1
InChIInChI=1S/C24H25N7O2/c1-3-21-29-24(33-30-21)18-14-26-15(2)27-22(18)31-12-9-16(10-13-31)23(32)28-20-8-4-7-19-17(20)6-5-11-25-19/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,28,32)
InChIKeyQRDCRTHVYDYGRD-UHFFFAOYSA-N
XLogP3.80
TPSA109.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide
CID 91950744
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
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
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
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-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 91950750
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
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
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
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736380

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide (CID 91950648) is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide is CCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3cccc4ncccc34)CC2)n1.
What is the InChIKey of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide?
The InChIKey is QRDCRTHVYDYGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-3-21-29-24(33-30-21)18-14-26-15(2)27-22(18)31-12-9-16(10-13-31)23(32)28-20-8-4-7-19-17(20)6-5-11-25-19/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,28,32).
What are the key properties of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide?
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-quinolin-5-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91950648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).