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

C22H28N6O3 — CID 91950681

IUPACN-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)N(C)Cc3ccco3)CC2)n1
InChIInChI=1S/C22H28N6O3/c1-4-6-19-25-21(31-26-19)18-13-23-15(2)24-20(18)28-10-8-16(9-11-28)22(29)27(3)14-17-7-5-12-30-17/h5,7,12-13,16H,4,6,8-11,14H2,1-3H3
InChIKeyINASKLBKMUDTHV-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.26
Rot. Bonds7

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

N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91950681) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91950681
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)N(C)Cc3ccco3)CC2)n1
InChIInChI=1S/C22H28N6O3/c1-4-6-19-25-21(31-26-19)18-13-23-15(2)24-20(18)28-10-8-16(9-11-28)22(29)27(3)14-17-7-5-12-30-17/h5,7,12-13,16H,4,6,8-11,14H2,1-3H3
InChIKeyINASKLBKMUDTHV-UHFFFAOYSA-N
XLogP3.26
TPSA101.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[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-(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-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-4-carboxamide
CID 91950648
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-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 144637743
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 131933729
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 53166017
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
3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 126785439

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 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) is N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide is CCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)N(C)Cc3ccco3)CC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is INASKLBKMUDTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-4-6-19-25-21(31-26-19)18-13-23-15(2)24-20(18)28-10-8-16(9-11-28)22(29)27(3)14-17-7-5-12-30-17/h5,7,12-13,16H,4,6,8-11,14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-1-[2-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91950681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).