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

C19H22N4O2S — CID 164750467

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2cccs2)cnc1N
InChIInChI=1S/C19H22N4O2S/c1-11-7-14(9-21-17(11)20)22-18(24)19(25)23-10-12-4-5-13(8-12)16(23)15-3-2-6-26-15/h2-3,6-7,9,12-13,16H,4-5,8,10H2,1H3,(H2,20,21)(H,22,24)/t12-,13+,16-/m0/s1
InChIKeyCWPVLWLMJCNXSS-ZENOOKHLSA-N
MW370.48 g/mol
LogP2.97
Rot. Bonds2

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

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 164750467) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-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-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID164750467
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2cccs2)cnc1N
InChIInChI=1S/C19H22N4O2S/c1-11-7-14(9-21-17(11)20)22-18(24)19(25)23-10-12-4-5-13(8-12)16(23)15-3-2-6-26-15/h2-3,6-7,9,12-13,16H,4-5,8,10H2,1H3,(H2,20,21)(H,22,24)/t12-,13+,16-/m0/s1
InChIKeyCWPVLWLMJCNXSS-ZENOOKHLSA-N
XLogP2.97
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
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-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide with MolForge

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Related Compounds

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
5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide
CID 164753423
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide
CID 175636967
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-[(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-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
[4-[(2S,5R)-1-[2-[(6-amino-5-methyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164751936
2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
CID 165062478
2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164750707
2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164752095
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-[(5S)-5-methyl-2-pyridin-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 167034069

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-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-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 164750467) is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-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-thiophen-2-yl-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-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide is Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2cccs2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is CWPVLWLMJCNXSS-ZENOOKHLSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-11-7-14(9-21-17(11)20)22-18(24)19(25)23-10-12-4-5-13(8-12)16(23)15-3-2-6-26-15/h2-3,6-7,9,12-13,16H,4-5,8,10H2,1H3,(H2,20,21)(H,22,24)/t12-,13+,16-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 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-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 164750467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).