N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide

C19H22N4O2 — CID 164753661

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)cnc1N
InChIInChI=1S/C19H22N4O2/c1-13-11-15(12-21-17(13)20)22-18(24)19(25)23-10-6-5-9-16(23)14-7-3-2-4-8-14/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3,(H2,20,21)(H,22,24)/t16-/m1/s1
InChIKeyKHEQXAMXOMTDAW-MRXNPFEDSA-N
MW338.41 g/mol
LogP2.66
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide (PubChem CID 164753661) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
PubChem CID164753661
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)cnc1N
InChIInChI=1S/C19H22N4O2/c1-13-11-15(12-21-17(13)20)22-18(24)19(25)23-10-6-5-9-16(23)14-7-3-2-4-8-14/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3,(H2,20,21)(H,22,24)/t16-/m1/s1
InChIKeyKHEQXAMXOMTDAW-MRXNPFEDSA-N
XLogP2.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.66
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-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide (CID 164753661) is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide is Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide?
The InChIKey is KHEQXAMXOMTDAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-11-15(12-21-17(13)20)22-18(24)19(25)23-10-6-5-9-16(23)14-7-3-2-4-8-14/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3,(H2,20,21)(H,22,24)/t16-/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.66, 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-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 164753661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).