N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide

C20H25N5O2 — CID 71807428

IUPACN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C20H25N5O2/c1-15-12-18(25-10-6-3-7-11-25)24-17(23-15)13-21-19(26)14-22-20(27)16-8-4-2-5-9-16/h2,4-5,8-9,12H,3,6-7,10-11,13-14H2,1H3,(H,21,26)(H,22,27)
InChIKeyUMZSPVWIWWFASU-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.82
Rot. Bonds6

About N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide

N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 71807428) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID71807428
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C20H25N5O2/c1-15-12-18(25-10-6-3-7-11-25)24-17(23-15)13-21-19(26)14-22-20(27)16-8-4-2-5-9-16/h2,4-5,8-9,12H,3,6-7,10-11,13-14H2,1H3,(H,21,26)(H,22,27)
InChIKeyUMZSPVWIWWFASU-UHFFFAOYSA-N
XLogP1.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide (CID 71807428) is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide is Cc1cc(N2CCCCC2)nc(CNC(=O)CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is UMZSPVWIWWFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-12-18(25-10-6-3-7-11-25)24-17(23-15)13-21-19(26)14-22-20(27)16-8-4-2-5-9-16/h2,4-5,8-9,12H,3,6-7,10-11,13-14H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 71807428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).