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

C18H23N5O — CID 46959416

IUPACN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C)nc(N2CCC(CNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-11-14(2)22-18(21-13)23-9-6-15(7-10-23)12-20-17(24)16-5-3-4-8-19-16/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,20,24)
InChIKeyCLEMFPOBWVYGKX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.13
Rot. Bonds4

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

N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 46959416) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide
PubChem CID46959416
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C)nc(N2CCC(CNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-11-14(2)22-18(21-13)23-9-6-15(7-10-23)12-20-17(24)16-5-3-4-8-19-16/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,20,24)
InChIKeyCLEMFPOBWVYGKX-UHFFFAOYSA-N
XLogP2.13
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide (CID 46959416) is N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide is Cc1cc(C)nc(N2CCC(CNC(=O)c3ccccn3)CC2)n1.
What is the InChIKey of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is CLEMFPOBWVYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-11-14(2)22-18(21-13)23-9-6-15(7-10-23)12-20-17(24)16-5-3-4-8-19-16/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 46959416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).