N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C13H17N5O3 — CID 150391238

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2CCC(=O)NC2=O)c2c1CCNC2
InChIInChI=1S/C13H17N5O3/c1-18-9-4-5-14-6-7(9)11(17-18)13(21)15-8-2-3-10(19)16-12(8)20/h8,14H,2-6H2,1H3,(H,15,21)(H,16,19,20)/t8-/m0/s1
InChIKeyHBTFWBKPBZUTOJ-QMMMGPOBSA-N
MW291.31 g/mol
LogP-1.40
Rot. Bonds2

About N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 150391238) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID150391238
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2CCC(=O)NC2=O)c2c1CCNC2
InChIInChI=1S/C13H17N5O3/c1-18-9-4-5-14-6-7(9)11(17-18)13(21)15-8-2-3-10(19)16-12(8)20/h8,14H,2-6H2,1H3,(H,15,21)(H,16,19,20)/t8-/m0/s1
InChIKeyHBTFWBKPBZUTOJ-QMMMGPOBSA-N
XLogP-1.40
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 150391238) is N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)N[C@H]2CCC(=O)NC2=O)c2c1CCNC2.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HBTFWBKPBZUTOJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-18-9-4-5-14-6-7(9)11(17-18)13(21)15-8-2-3-10(19)16-12(8)20/h8,14H,2-6H2,1H3,(H,15,21)(H,16,19,20)/t8-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 150391238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).