N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide

C18H24N6O2 — CID 164750241

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccnn2C)cnc1N
InChIInChI=1S/C18H24N6O2/c1-11-4-5-15(14-6-7-21-23(14)3)24(10-11)18(26)17(25)22-13-8-12(2)16(19)20-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H2,19,20)(H,22,25)/t11-,15+/m1/s1
InChIKeyUAQHCTRDGGHTLN-ABAIWWIYSA-N
MW356.43 g/mol
LogP1.64
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 164750241) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID164750241
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccnn2C)cnc1N
InChIInChI=1S/C18H24N6O2/c1-11-4-5-15(14-6-7-21-23(14)3)24(10-11)18(26)17(25)22-13-8-12(2)16(19)20-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H2,19,20)(H,22,25)/t11-,15+/m1/s1
InChIKeyUAQHCTRDGGHTLN-ABAIWWIYSA-N
XLogP1.64
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide (CID 164750241) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccnn2C)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is UAQHCTRDGGHTLN-ABAIWWIYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11-4-5-15(14-6-7-21-23(14)3)24(10-11)18(26)17(25)22-13-8-12(2)16(19)20-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H2,19,20)(H,22,25)/t11-,15+/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 356.43 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164750241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).