N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide

C21H24N4O2 — CID 164753114

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2ccccc2)cnc1N
InChIInChI=1S/C21H24N4O2/c1-13-9-17(11-23-19(13)22)24-20(26)21(27)25-12-14-7-8-16(10-14)18(25)15-5-3-2-4-6-15/h2-6,9,11,14,16,18H,7-8,10,12H2,1H3,(H2,22,23)(H,24,26)/t14-,16+,18+/m0/s1
InChIKeyNBQQGQCJSYOFAX-YXJHDRRASA-N
MW364.45 g/mol
LogP2.91
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 164753114) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID164753114
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2ccccc2)cnc1N
InChIInChI=1S/C21H24N4O2/c1-13-9-17(11-23-19(13)22)24-20(26)21(27)25-12-14-7-8-16(10-14)18(25)15-5-3-2-4-6-15/h2-6,9,11,14,16,18H,7-8,10,12H2,1H3,(H2,22,23)(H,24,26)/t14-,16+,18+/m0/s1
InChIKeyNBQQGQCJSYOFAX-YXJHDRRASA-N
XLogP2.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.91
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-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of 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) is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide is Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2ccccc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is NBQQGQCJSYOFAX-YXJHDRRASA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-9-17(11-23-19(13)22)24-20(26)21(27)25-12-14-7-8-16(10-14)18(25)15-5-3-2-4-6-15/h2-6,9,11,14,16,18H,7-8,10,12H2,1H3,(H2,22,23)(H,24,26)/t14-,16+,18+/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.91, 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-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 164753114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).