2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

C14H15N3O3 — CID 171730681

IUPAC2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESNC(=O)C1CCc2ccc([C@@H]3CCC(=O)NC3=O)nc21
InChIInChI=1S/C14H15N3O3/c15-13(19)9-3-1-7-2-5-10(16-12(7)9)8-4-6-11(18)17-14(8)20/h2,5,8-9H,1,3-4,6H2,(H2,15,19)(H,17,18,20)/t8-,9?/m0/s1
InChIKeyMFGMDVQECOTFPD-IENPIDJESA-N
MW273.29 g/mol
LogP0.12
Rot. Bonds2

About 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (PubChem CID 171730681) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
PubChem CID171730681
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESNC(=O)C1CCc2ccc([C@@H]3CCC(=O)NC3=O)nc21
InChIInChI=1S/C14H15N3O3/c15-13(19)9-3-1-7-2-5-10(16-12(7)9)8-4-6-11(18)17-14(8)20/h2,5,8-9H,1,3-4,6H2,(H2,15,19)(H,17,18,20)/t8-,9?/m0/s1
InChIKeyMFGMDVQECOTFPD-IENPIDJESA-N
XLogP0.12
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide
CID 170983752
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide
CID 154202178
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
3-(5-aminopyrimidin-2-yl)piperidine-2,6-dione
CID 177240318
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione
CID 176988107
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
tert-butyl 7-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166113222
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (CID 171730681) is 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.
What is the SMILES notation for 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The canonical SMILES for 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is NC(=O)C1CCc2ccc([C@@H]3CCC(=O)NC3=O)nc21.
What is the InChIKey of 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The InChIKey is MFGMDVQECOTFPD-IENPIDJESA-N. The full InChI is InChI=1S/C14H15N3O3/c15-13(19)9-3-1-7-2-5-10(16-12(7)9)8-4-6-11(18)17-14(8)20/h2,5,8-9H,1,3-4,6H2,(H2,15,19)(H,17,18,20)/t8-,9?/m0/s1.
What are the key properties of 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,6-dioxopiperidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is sourced from PubChem (CID 171730681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).