1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide

C15H20N6O2 — CID 666064

IUPAC1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-10-7-11(2)19-15(18-10)21(9-16)8-13(22)20-5-3-12(4-6-20)14(17)23/h7,12H,3-6,8H2,1-2H3,(H2,17,23)
InChIKeyPWYSHXWZNMUGTR-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.10
Rot. Bonds4

About 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide

1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 666064) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide
PubChem CID666064
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-10-7-11(2)19-15(18-10)21(9-16)8-13(22)20-5-3-12(4-6-20)14(17)23/h7,12H,3-6,8H2,1-2H3,(H2,17,23)
InChIKeyPWYSHXWZNMUGTR-UHFFFAOYSA-N
XLogP0.10
TPSA116.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide (CID 666064) is 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide is Cc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is PWYSHXWZNMUGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-7-11(2)19-15(18-10)21(9-16)8-13(22)20-5-3-12(4-6-20)14(17)23/h7,12H,3-6,8H2,1-2H3,(H2,17,23).
What are the key properties of 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide?
1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 666064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).