N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide

C21H24FN3O3 — CID 171755973

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)C2C[C@@H](C)CC[C@@H]2c2ccc(F)c(O)c2)cnc1N
InChIInChI=1S/C21H24FN3O3/c1-11-3-5-15(13-4-6-17(22)18(26)9-13)16(7-11)19(27)21(28)25-14-8-12(2)20(23)24-10-14/h4,6,8-11,15-16,26H,3,5,7H2,1-2H3,(H2,23,24)(H,25,28)/t11-,15+,16?/m0/s1
InChIKeyVQEIELVDUWLQGS-DNMUGYJGSA-N
MW385.44 g/mol
LogP3.54
Rot. Bonds4

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide (PubChem CID 171755973) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide
PubChem CID171755973
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)C2C[C@@H](C)CC[C@@H]2c2ccc(F)c(O)c2)cnc1N
InChIInChI=1S/C21H24FN3O3/c1-11-3-5-15(13-4-6-17(22)18(26)9-13)16(7-11)19(27)21(28)25-14-8-12(2)20(23)24-10-14/h4,6,8-11,15-16,26H,3,5,7H2,1-2H3,(H2,23,24)(H,25,28)/t11-,15+,16?/m0/s1
InChIKeyVQEIELVDUWLQGS-DNMUGYJGSA-N
XLogP3.54
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide (CID 171755973) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)C2C[C@@H](C)CC[C@@H]2c2ccc(F)c(O)c2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide?
The InChIKey is VQEIELVDUWLQGS-DNMUGYJGSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-11-3-5-15(13-4-6-17(22)18(26)9-13)16(7-11)19(27)21(28)25-14-8-12(2)20(23)24-10-14/h4,6,8-11,15-16,26H,3,5,7H2,1-2H3,(H2,23,24)(H,25,28)/t11-,15+,16?/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide has a molecular weight of 385.44 g/mol, XLogP of 3.54, 4 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,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylcyclohexyl]-2-oxoacetamide is sourced from PubChem (CID 171755973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).