N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide

C19H22N4O2 — CID 124942684

IUPACN-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccn3)CCN2C)c1
InChIInChI=1S/C19H22N4O2/c1-20-18(24)15-7-5-6-14(12-15)17-13-23(11-10-22(17)2)19(25)16-8-3-4-9-21-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyAXARBWLPQMHJJH-KRWDZBQOSA-N
MW338.41 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide

N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide (PubChem CID 124942684) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
PubChem CID124942684
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccn3)CCN2C)c1
InChIInChI=1S/C19H22N4O2/c1-20-18(24)15-7-5-6-14(12-15)17-13-23(11-10-22(17)2)19(25)16-8-3-4-9-21-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyAXARBWLPQMHJJH-KRWDZBQOSA-N
XLogP1.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide (CID 124942684) is N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide is CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccn3)CCN2C)c1.
What is the InChIKey of N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide?
The InChIKey is AXARBWLPQMHJJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-20-18(24)15-7-5-6-14(12-15)17-13-23(11-10-22(17)2)19(25)16-8-3-4-9-21-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide?
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide is sourced from PubChem (CID 124942684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).