N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C18H20N8O2 — CID 71795756

IUPACN-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3cc(-n4cccn4)ncn3)CC2)ncn1
InChIInChI=1S/C18H20N8O2/c1-28-17-9-14(19-11-22-17)24-18(27)13-3-7-25(8-4-13)15-10-16(21-12-20-15)26-6-2-5-23-26/h2,5-6,9-13H,3-4,7-8H2,1H3,(H,19,22,24,27)
InChIKeyVMPJXGSMEQWXDF-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.32
Rot. Bonds5

About N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 71795756) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID71795756
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3cc(-n4cccn4)ncn3)CC2)ncn1
InChIInChI=1S/C18H20N8O2/c1-28-17-9-14(19-11-22-17)24-18(27)13-3-7-25(8-4-13)15-10-16(21-12-20-15)26-6-2-5-23-26/h2,5-6,9-13H,3-4,7-8H2,1H3,(H,19,22,24,27)
InChIKeyVMPJXGSMEQWXDF-UHFFFAOYSA-N
XLogP1.32
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 71795756) is N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3cc(-n4cccn4)ncn3)CC2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is VMPJXGSMEQWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-28-17-9-14(19-11-22-17)24-18(27)13-3-7-25(8-4-13)15-10-16(21-12-20-15)26-6-2-5-23-26/h2,5-6,9-13H,3-4,7-8H2,1H3,(H,19,22,24,27).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71795756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).