methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate

C22H26N4O4 — CID 46492227

IUPACmethyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1
InChIInChI=1S/C22H26N4O4/c1-15-6-4-7-16(2)20(15)24-19(27)14-25-10-12-26(13-11-25)21(28)17-8-5-9-18(23-17)22(29)30-3/h4-9H,10-14H2,1-3H3,(H,24,27)
InChIKeyLFDQFKMEQYRGBS-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.88
Rot. Bonds5

About methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate

methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 46492227) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate
PubChem CID46492227
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Namemethyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1
InChIInChI=1S/C22H26N4O4/c1-15-6-4-7-16(2)20(15)24-19(27)14-25-10-12-26(13-11-25)21(28)17-8-5-9-18(23-17)22(29)30-3/h4-9H,10-14H2,1-3H3,(H,24,27)
InChIKeyLFDQFKMEQYRGBS-UHFFFAOYSA-N
XLogP1.88
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 9021581
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303
methyl 6-(4-benzyl-1,4-diazepane-1-carbonyl)pyridine-2-carboxylate
CID 51122068
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17499455
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914
N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 17499597

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate (CID 46492227) is methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1.
What is the InChIKey of methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is LFDQFKMEQYRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-6-4-7-16(2)20(15)24-19(27)14-25-10-12-26(13-11-25)21(28)17-8-5-9-18(23-17)22(29)30-3/h4-9H,10-14H2,1-3H3,(H,24,27).
What are the key properties of methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 46492227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).