N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide

C20H24N4O3 — CID 175637266

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cc1O
InChIInChI=1S/C20H24N4O3/c1-12-6-7-14(10-17(12)25)16-5-3-4-8-24(16)20(27)19(26)23-15-9-13(2)18(21)22-11-15/h6-7,9-11,16,25H,3-5,8H2,1-2H3,(H2,21,22)(H,23,26)/t16-/m0/s1
InChIKeyDKWDENZZQQYIOR-INIZCTEOSA-N
MW368.44 g/mol
LogP2.68
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 175637266) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID175637266
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cc1O
InChIInChI=1S/C20H24N4O3/c1-12-6-7-14(10-17(12)25)16-5-3-4-8-24(16)20(27)19(26)23-15-9-13(2)18(21)22-11-15/h6-7,9-11,16,25H,3-5,8H2,1-2H3,(H2,21,22)(H,23,26)/t16-/m0/s1
InChIKeyDKWDENZZQQYIOR-INIZCTEOSA-N
XLogP2.68
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164753144
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033401
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751109
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide
CID 164750958
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033385
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 167033259
2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033207
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide
CID 175637335
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide
CID 167033183
tert-butyl N-[5-[[2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752540

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide (CID 175637266) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cc1O.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is DKWDENZZQQYIOR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-6-7-14(10-17(12)25)16-5-3-4-8-24(16)20(27)19(26)23-15-9-13(2)18(21)22-11-15/h6-7,9-11,16,25H,3-5,8H2,1-2H3,(H2,21,22)(H,23,26)/t16-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 368.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175637266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).