N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide

C11H12N2O3 — CID 89169267

IUPACN-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide
SMILESO=CCC[C@@H](C=O)NC(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c14-6-2-4-10(8-15)13-11(16)9-3-1-5-12-7-9/h1,3,5-8,10H,2,4H2,(H,13,16)/t10-/m0/s1
InChIKeyUPHUHSLDOFLDNH-JTQLQIEISA-N
MW220.23 g/mol
LogP0.36
Rot. Bonds6

About N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide

N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide (PubChem CID 89169267) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide
PubChem CID89169267
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide
SMILESO=CCC[C@@H](C=O)NC(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c14-6-2-4-10(8-15)13-11(16)9-3-1-5-12-7-9/h1,3,5-8,10H,2,4H2,(H,13,16)/t10-/m0/s1
InChIKeyUPHUHSLDOFLDNH-JTQLQIEISA-N
XLogP0.36
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
methyl 4-methylsulfonyl-2-(pyridine-3-carbonylamino)butanoate
CID 141299622
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
CID 3039041
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
CID 172748531
CID 172748531
4-methylidene-2-(pyridine-3-carbonylamino)hex-5-enoic acid
CID 123350305

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide (CID 89169267) is N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide is O=CCC[C@@H](C=O)NC(=O)c1cccnc1.
What is the InChIKey of N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide?
The InChIKey is UPHUHSLDOFLDNH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O3/c14-6-2-4-10(8-15)13-11(16)9-3-1-5-12-7-9/h1,3,5-8,10H,2,4H2,(H,13,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide?
N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 89169267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).