N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

C17H22N6O — CID 46958800

IUPACN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cc(C)nc(N2CCC(CNC(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-12-9-13(2)22-17(21-12)23-7-3-14(4-8-23)10-20-16(24)15-11-18-5-6-19-15/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,20,24)
InChIKeyDSDDQINJDPXEKR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.53
Rot. Bonds4

About N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide (PubChem CID 46958800) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
PubChem CID46958800
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cc(C)nc(N2CCC(CNC(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-12-9-13(2)22-17(21-12)23-7-3-14(4-8-23)10-20-16(24)15-11-18-5-6-19-15/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,20,24)
InChIKeyDSDDQINJDPXEKR-UHFFFAOYSA-N
XLogP1.53
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide (CID 46958800) is N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide is Cc1cc(C)nc(N2CCC(CNC(=O)c3cnccn3)CC2)n1.
What is the InChIKey of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is DSDDQINJDPXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-9-13(2)22-17(21-12)23-7-3-14(4-8-23)10-20-16(24)15-11-18-5-6-19-15/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46958800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).