N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide

C16H22N6O2 — CID 172900579

IUPACN-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1cnc(N2CCC(N(C)C(=O)c3ccn(C)n3)CC2)nc1
InChIInChI=1S/C16H22N6O2/c1-20-7-6-14(19-20)15(23)21(2)12-4-8-22(9-5-12)16-17-10-13(24-3)11-18-16/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyCGNMDTBTNNPHMN-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.96
Rot. Bonds4

About N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide

N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 172900579) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID172900579
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1cnc(N2CCC(N(C)C(=O)c3ccn(C)n3)CC2)nc1
InChIInChI=1S/C16H22N6O2/c1-20-7-6-14(19-20)15(23)21(2)12-4-8-22(9-5-12)16-17-10-13(24-3)11-18-16/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyCGNMDTBTNNPHMN-UHFFFAOYSA-N
XLogP0.96
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (CID 172900579) is N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide is COc1cnc(N2CCC(N(C)C(=O)c3ccn(C)n3)CC2)nc1.
What is the InChIKey of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is CGNMDTBTNNPHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20-7-6-14(19-20)15(23)21(2)12-4-8-22(9-5-12)16-17-10-13(24-3)11-18-16/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172900579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).