3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide

C20H29N7O — CID 122254570

IUPAC3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H29N7O/c1-25(2)16-10-8-9-15(13-16)18(28)21-14-17-22-19(26(3)4)24-20(23-17)27-11-6-5-7-12-27/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,21,28)
InChIKeyONUMVFXLDRADGG-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.92
Rot. Bonds6

About 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide

3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide (PubChem CID 122254570) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
PubChem CID122254570
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H29N7O/c1-25(2)16-10-8-9-15(13-16)18(28)21-14-17-22-19(26(3)4)24-20(23-17)27-11-6-5-7-12-27/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,21,28)
InChIKeyONUMVFXLDRADGG-UHFFFAOYSA-N
XLogP1.92
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254297
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122254535
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide
CID 122254344
3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352419
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-3-carboxamide
CID 122254265
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 122254556
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
CID 122254324
5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254573
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122254625

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide (CID 122254570) is 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide is CN(C)c1cccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
The InChIKey is ONUMVFXLDRADGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-25(2)16-10-8-9-15(13-16)18(28)21-14-17-22-19(26(3)4)24-20(23-17)27-11-6-5-7-12-27/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,21,28).
What are the key properties of 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide has a molecular weight of 383.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide is sourced from PubChem (CID 122254570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).