4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide

C22H31N7O2 — CID 166185767

IUPAC4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
SMILESCc1nc2n(n1)CC(NC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C22H31N7O2/c1-15-5-4-6-16(2)21(15)25-20(30)14-27-9-11-28(12-10-27)22(31)24-18-7-8-19-23-17(3)26-29(19)13-18/h4-6,18H,7-14H2,1-3H3,(H,24,31)(H,25,30)
InChIKeyBAZAIKVUXKDWCT-UHFFFAOYSA-N
MW425.54 g/mol
LogP1.48
Rot. Bonds4

About 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide

4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide (PubChem CID 166185767) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
PubChem CID166185767
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Name4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
SMILESCc1nc2n(n1)CC(NC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C22H31N7O2/c1-15-5-4-6-16(2)21(15)25-20(30)14-27-9-11-28(12-10-27)22(31)24-18-7-8-19-23-17(3)26-29(19)13-18/h4-6,18H,7-14H2,1-3H3,(H,24,31)(H,25,30)
InChIKeyBAZAIKVUXKDWCT-UHFFFAOYSA-N
XLogP1.48
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154797764
6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99795052
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917553
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917291
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 154801893
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46492227

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide (CID 166185767) is 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide is Cc1nc2n(n1)CC(NC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)CC2.
What is the InChIKey of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide?
The InChIKey is BAZAIKVUXKDWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-15-5-4-6-16(2)21(15)25-20(30)14-27-9-11-28(12-10-27)22(31)24-18-7-8-19-23-17(3)26-29(19)13-18/h4-6,18H,7-14H2,1-3H3,(H,24,31)(H,25,30).
What are the key properties of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide?
4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 166185767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).