1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H28N4O2 — CID 60522958

IUPAC1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(CC(=O)Nc3cccc(C)c3C)C2)n1
InChIInChI=1S/C22H28N4O2/c1-15-7-4-10-19(17(15)3)24-21(27)14-26-12-6-9-18(13-26)22(28)25-20-11-5-8-16(2)23-20/h4-5,7-8,10-11,18H,6,9,12-14H2,1-3H3,(H,24,27)(H,23,25,28)
InChIKeyBIMGMMDDQYPWCA-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.30
Rot. Bonds5

About 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 60522958) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID60522958
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(CC(=O)Nc3cccc(C)c3C)C2)n1
InChIInChI=1S/C22H28N4O2/c1-15-7-4-10-19(17(15)3)24-21(27)14-26-12-6-9-18(13-26)22(28)25-20-11-5-8-16(2)23-20/h4-5,7-8,10-11,18H,6,9,12-14H2,1-3H3,(H,24,27)(H,23,25,28)
InChIKeyBIMGMMDDQYPWCA-UHFFFAOYSA-N
XLogP3.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
N-(2,3-dimethylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563614
N-(5-bromo-2-pyridinyl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856982
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
ethyl 4-cyclopropyl-2-[[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55856218
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 60522958) is 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(CC(=O)Nc3cccc(C)c3C)C2)n1.
What is the InChIKey of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is BIMGMMDDQYPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-7-4-10-19(17(15)3)24-21(27)14-26-12-6-9-18(13-26)22(28)25-20-11-5-8-16(2)23-20/h4-5,7-8,10-11,18H,6,9,12-14H2,1-3H3,(H,24,27)(H,23,25,28).
What are the key properties of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 60522958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).