N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide

C20H27N5O — CID 56884860

IUPACN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide
SMILESCNc1ncc(CN(C)C(=O)c2cccc(CC3CCNCC3)c2)cn1
InChIInChI=1S/C20H27N5O/c1-21-20-23-12-17(13-24-20)14-25(2)19(26)18-5-3-4-16(11-18)10-15-6-8-22-9-7-15/h3-5,11-13,15,22H,6-10,14H2,1-2H3,(H,21,23,24)
InChIKeySKHSXWKUVOBYLM-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.33
Rot. Bonds6

About N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide

N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide (PubChem CID 56884860) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide
PubChem CID56884860
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide
SMILESCNc1ncc(CN(C)C(=O)c2cccc(CC3CCNCC3)c2)cn1
InChIInChI=1S/C20H27N5O/c1-21-20-23-12-17(13-24-20)14-25(2)19(26)18-5-3-4-16(11-18)10-15-6-8-22-9-7-15/h3-5,11-13,15,22H,6-10,14H2,1-2H3,(H,21,23,24)
InChIKeySKHSXWKUVOBYLM-UHFFFAOYSA-N
XLogP2.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide (CID 56884860) is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide is CNc1ncc(CN(C)C(=O)c2cccc(CC3CCNCC3)c2)cn1.
What is the InChIKey of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide?
The InChIKey is SKHSXWKUVOBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-21-20-23-12-17(13-24-20)14-25(2)19(26)18-5-3-4-16(11-18)10-15-6-8-22-9-7-15/h3-5,11-13,15,22H,6-10,14H2,1-2H3,(H,21,23,24).
What are the key properties of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide?
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 56884860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).