5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

C18H26N4O3 — CID 175639146

IUPAC5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESCCC[C@@H](C)C1CCN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-4-12(2)13-5-7-22(8-6-13)18(25)17(24)21-15-9-14(16(19)23)10-20-11-15/h9-13H,3-8H2,1-2H3,(H2,19,23)(H,21,24)/t12-/m1/s1
InChIKeyRBIGXLHABAYDRL-GFCCVEGCSA-N
MW346.43 g/mol
LogP1.79
Rot. Bonds5

About 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (PubChem CID 175639146) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
PubChem CID175639146
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESCCC[C@@H](C)C1CCN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-4-12(2)13-5-7-22(8-6-13)18(25)17(24)21-15-9-14(16(19)23)10-20-11-15/h9-13H,3-8H2,1-2H3,(H2,19,23)(H,21,24)/t12-/m1/s1
InChIKeyRBIGXLHABAYDRL-GFCCVEGCSA-N
XLogP1.79
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750550
5-[[2-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033075
5-[[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022646
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide
CID 164751101
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
5-[[2-[(2R,5S)-2-(5-amino-2-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751414
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
5-[[2-[(2S,5R)-2-(3-chloro-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753165
5-[[2-[(2S,5R)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175632858
5-[[2-[(2S,5S)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753001
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-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (CID 175639146) is 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is CCC[C@@H](C)C1CCN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)CC1.
What is the InChIKey of 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The InChIKey is RBIGXLHABAYDRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-4-12(2)13-5-7-22(8-6-13)18(25)17(24)21-15-9-14(16(19)23)10-20-11-15/h9-13H,3-8H2,1-2H3,(H2,19,23)(H,21,24)/t12-/m1/s1.
What are the key properties of 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175639146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).