5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide

C19H20N4O3S — CID 164753423

IUPAC5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2cccs2)c1
InChIInChI=1S/C19H20N4O3S/c20-17(24)13-7-14(9-21-8-13)22-18(25)19(26)23-10-11-3-4-12(6-11)16(23)15-2-1-5-27-15/h1-2,5,7-9,11-12,16H,3-4,6,10H2,(H2,20,24)(H,22,25)/t11-,12+,16-/m0/s1
InChIKeyBRHFOLWRLGVRCD-OZVIIMIRSA-N
MW384.46 g/mol
LogP2.18
Rot. Bonds3

About 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide

5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide (PubChem CID 164753423) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide
PubChem CID164753423
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2cccs2)c1
InChIInChI=1S/C19H20N4O3S/c20-17(24)13-7-14(9-21-8-13)22-18(25)19(26)23-10-11-3-4-12(6-11)16(23)15-2-1-5-27-15/h1-2,5,7-9,11-12,16H,3-4,6,10H2,(H2,20,24)(H,22,25)/t11-,12+,16-/m0/s1
InChIKeyBRHFOLWRLGVRCD-OZVIIMIRSA-N
XLogP2.18
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

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
5-[[2-[(2R,5R)-5-methyl-2-thiophen-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022590
5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175632574
5-[[2-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033075
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
5-[[2-[(2S,5R)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750843
5-[[2-[(2S,5R)-2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750589
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
[4-[(2R,5S)-1-[2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164752749
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750550
5-[[2-[(2S,5R)-2-[(1S,3R)-3-hydroxycyclohexyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753163

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 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) is 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2C[C@H]3CC[C@H](C3)[C@H]2c2cccs2)c1.
What is the InChIKey of 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide?
The InChIKey is BRHFOLWRLGVRCD-OZVIIMIRSA-N. The full InChI is InChI=1S/C19H20N4O3S/c20-17(24)13-7-14(9-21-8-13)22-18(25)19(26)23-10-11-3-4-12(6-11)16(23)15-2-1-5-27-15/h1-2,5,7-9,11-12,16H,3-4,6,10H2,(H2,20,24)(H,22,25)/t11-,12+,16-/m0/s1.
What are the key properties of 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide?
5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164753423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).