N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide

C20H30N4O2 — CID 164750802

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCCC2)cnc1N
InChIInChI=1S/C20H30N4O2/c1-13-8-9-17(15-6-4-3-5-7-15)24(12-13)20(26)19(25)23-16-10-14(2)18(21)22-11-16/h10-11,13,15,17H,3-9,12H2,1-2H3,(H2,21,22)(H,23,25)/t13-,17-/m1/s1
InChIKeyJCGGSEKYBKBVBS-CXAGYDPISA-N
MW358.49 g/mol
LogP3.12
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164750802) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164750802
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCCC2)cnc1N
InChIInChI=1S/C20H30N4O2/c1-13-8-9-17(15-6-4-3-5-7-15)24(12-13)20(26)19(25)23-16-10-14(2)18(21)22-11-16/h10-11,13,15,17H,3-9,12H2,1-2H3,(H2,21,22)(H,23,25)/t13-,17-/m1/s1
InChIKeyJCGGSEKYBKBVBS-CXAGYDPISA-N
XLogP3.12
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164750802) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCCC2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is JCGGSEKYBKBVBS-CXAGYDPISA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13-8-9-17(15-6-4-3-5-7-15)24(12-13)20(26)19(25)23-16-10-14(2)18(21)22-11-16/h10-11,13,15,17H,3-9,12H2,1-2H3,(H2,21,22)(H,23,25)/t13-,17-/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 358.49 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164750802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).