N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide

C22H27N3O2 — CID 171755975

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)C2C[C@@H](C)[C@H](C)C[C@@H]2c2ccccc2)cnc1N
InChIInChI=1S/C22H27N3O2/c1-13-10-18(16-7-5-4-6-8-16)19(11-14(13)2)20(26)22(27)25-17-9-15(3)21(23)24-12-17/h4-9,12-14,18-19H,10-11H2,1-3H3,(H2,23,24)(H,25,27)/t13-,14-,18-,19?/m1/s1
InChIKeyRJTZHSQVQKFEFG-TVGWAPAASA-N
MW365.48 g/mol
LogP3.95
Rot. Bonds4

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide (PubChem CID 171755975) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide
PubChem CID171755975
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)C2C[C@@H](C)[C@H](C)C[C@@H]2c2ccccc2)cnc1N
InChIInChI=1S/C22H27N3O2/c1-13-10-18(16-7-5-4-6-8-16)19(11-14(13)2)20(26)22(27)25-17-9-15(3)21(23)24-12-17/h4-9,12-14,18-19H,10-11H2,1-3H3,(H2,23,24)(H,25,27)/t13-,14-,18-,19?/m1/s1
InChIKeyRJTZHSQVQKFEFG-TVGWAPAASA-N
XLogP3.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 164751690
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide
CID 171755973
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-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 164753114
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-5-methyl-2-pyridin-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 167034069
N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide
CID 154843725
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 171600987
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-[(2R,5S)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751196
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidin-1-yl]-2-oxoacetamide
CID 164752533
N-(6-amino-5-methyl-3-pyridinyl)-2-[(4S,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidin-1-yl]-2-oxoacetamide
CID 167033524

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide (CID 171755975) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)C2C[C@@H](C)[C@H](C)C[C@@H]2c2ccccc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide?
The InChIKey is RJTZHSQVQKFEFG-TVGWAPAASA-N. The full InChI is InChI=1S/C22H27N3O2/c1-13-10-18(16-7-5-4-6-8-16)19(11-14(13)2)20(26)22(27)25-17-9-15(3)21(23)24-12-17/h4-9,12-14,18-19H,10-11H2,1-3H3,(H2,23,24)(H,25,27)/t13-,14-,18-,19?/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.95, 4 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-[(2S,4R,5R)-4,5-dimethyl-2-phenylcyclohexyl]-2-oxoacetamide is sourced from PubChem (CID 171755975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).