N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide

C21H26N4O2 — CID 164752907

IUPACN-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1c(NC(=O)C(=O)N2[C@H](C)CCC[C@@H]2c2ccccc2)cnc(N)c1C
InChIInChI=1S/C21H26N4O2/c1-13-8-7-11-18(16-9-5-4-6-10-16)25(13)21(27)20(26)24-17-12-23-19(22)15(3)14(17)2/h4-6,9-10,12-13,18H,7-8,11H2,1-3H3,(H2,22,23)(H,24,26)/t13-,18-/m1/s1
InChIKeyXYSHOUIPTMVEIE-FZKQIMNGSA-N
MW366.47 g/mol
LogP3.36
Rot. Bonds2

About N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164752907) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164752907
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1c(NC(=O)C(=O)N2[C@H](C)CCC[C@@H]2c2ccccc2)cnc(N)c1C
InChIInChI=1S/C21H26N4O2/c1-13-8-7-11-18(16-9-5-4-6-10-16)25(13)21(27)20(26)24-17-12-23-19(22)15(3)14(17)2/h4-6,9-10,12-13,18H,7-8,11H2,1-3H3,(H2,22,23)(H,24,26)/t13-,18-/m1/s1
InChIKeyXYSHOUIPTMVEIE-FZKQIMNGSA-N
XLogP3.36
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide with MolForge

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Related Compounds

N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetamide
CID 164753441
2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
CID 164752640
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752986
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 169114768
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 169114684
2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
CID 169115611
N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 169114933
sodium;1-[(2S,6S)-2-methyl-6-phenylpiperidin-1-yl]ethane-1,2-dione;hydroxide
CID 164753404
N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108524855
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,6S)-2-methyl-6-[2-(1-methylpiperidin-4-yl)-1-benzothiophen-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 164751916
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide (CID 164752907) is N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide is Cc1c(NC(=O)C(=O)N2[C@H](C)CCC[C@@H]2c2ccccc2)cnc(N)c1C.
What is the InChIKey of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is XYSHOUIPTMVEIE-FZKQIMNGSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-8-7-11-18(16-9-5-4-6-10-16)25(13)21(27)20(26)24-17-12-23-19(22)15(3)14(17)2/h4-6,9-10,12-13,18H,7-8,11H2,1-3H3,(H2,22,23)(H,24,26)/t13-,18-/m1/s1.
What are the key properties of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 366.47 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164752907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).