N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide

C19H24N6O4 — CID 91950869

IUPACN-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCc1noc(-c2cncn(CCC(=O)N(C(=O)C3CCCNC3)C3CC3)c2=O)n1
InChIInChI=1S/C19H24N6O4/c1-12-22-17(29-23-12)15-10-21-11-24(19(15)28)8-6-16(26)25(14-4-5-14)18(27)13-3-2-7-20-9-13/h10-11,13-14,20H,2-9H2,1H3
InChIKeyXRRDUFCJTQCYFB-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.51
Rot. Bonds6

About N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide

N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 91950869) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide
PubChem CID91950869
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC NameN-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCc1noc(-c2cncn(CCC(=O)N(C(=O)C3CCCNC3)C3CC3)c2=O)n1
InChIInChI=1S/C19H24N6O4/c1-12-22-17(29-23-12)15-10-21-11-24(19(15)28)8-6-16(26)25(14-4-5-14)18(27)13-3-2-7-20-9-13/h10-11,13-14,20H,2-9H2,1H3
InChIKeyXRRDUFCJTQCYFB-UHFFFAOYSA-N
XLogP0.51
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide (CID 91950869) is N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide is Cc1noc(-c2cncn(CCC(=O)N(C(=O)C3CCCNC3)C3CC3)c2=O)n1.
What is the InChIKey of N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is XRRDUFCJTQCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-12-22-17(29-23-12)15-10-21-11-24(19(15)28)8-6-16(26)25(14-4-5-14)18(27)13-3-2-7-20-9-13/h10-11,13-14,20H,2-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide?
N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 91950869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).