3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide

C18H30N6O2 — CID 70713795

IUPAC3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)C2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C18H30N6O2/c1-3-4-7-15-22-13(2)11-16(23-15)20-8-9-21-17(25)14-6-5-10-24(12-14)18(19)26/h11,14H,3-10,12H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23)
InChIKeyZMXPOYAPNSEKKR-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.45
Rot. Bonds8

About 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide

3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide (PubChem CID 70713795) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
PubChem CID70713795
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)C2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C18H30N6O2/c1-3-4-7-15-22-13(2)11-16(23-15)20-8-9-21-17(25)14-6-5-10-24(12-14)18(19)26/h11,14H,3-10,12H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23)
InChIKeyZMXPOYAPNSEKKR-UHFFFAOYSA-N
XLogP1.45
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide (CID 70713795) is 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide is CCCCc1nc(C)cc(NCCNC(=O)C2CCCN(C(N)=O)C2)n1.
What is the InChIKey of 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is ZMXPOYAPNSEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-3-4-7-15-22-13(2)11-16(23-15)20-8-9-21-17(25)14-6-5-10-24(12-14)18(19)26/h11,14H,3-10,12H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23).
What are the key properties of 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide?
3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 362.48 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 70713795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).