N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide

C10H10N4O3 — CID 156797860

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2ncccn2)C(=O)N1
InChIInChI=1S/C10H10N4O3/c15-7-3-2-6(9(16)14-7)13-10(17)8-11-4-1-5-12-8/h1,4-6H,2-3H2,(H,13,17)(H,14,15,16)/t6-/m0/s1
InChIKeyGHZFKQZRIJWUSQ-LURJTMIESA-N
MW234.21 g/mol
LogP-0.99
Rot. Bonds2

About N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide

N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 156797860) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
PubChem CID156797860
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2ncccn2)C(=O)N1
InChIInChI=1S/C10H10N4O3/c15-7-3-2-6(9(16)14-7)13-10(17)8-11-4-1-5-12-8/h1,4-6H,2-3H2,(H,13,17)(H,14,15,16)/t6-/m0/s1
InChIKeyGHZFKQZRIJWUSQ-LURJTMIESA-N
XLogP-0.99
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)pyridine-4-carboxamide
CID 127816376
N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 110475285
2-(3-amino-2-pyridinyl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 155218183
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146129208
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743728
N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 153384900

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide (CID 156797860) is N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide is O=C1CC[C@H](NC(=O)c2ncccn2)C(=O)N1.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is GHZFKQZRIJWUSQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H10N4O3/c15-7-3-2-6(9(16)14-7)13-10(17)8-11-4-1-5-12-8/h1,4-6H,2-3H2,(H,13,17)(H,14,15,16)/t6-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 234.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 156797860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).