N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C12H15N5O3 — CID 79354422

IUPACN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN1C(=O)CC(NC(=O)C2Cc3nc[nH]c3CN2)C1=O
InChIInChI=1S/C12H15N5O3/c1-17-10(18)3-8(12(17)20)16-11(19)7-2-6-9(4-13-7)15-5-14-6/h5,7-8,13H,2-4H2,1H3,(H,14,15)(H,16,19)
InChIKeyWJLZTKOLWKYCLW-UHFFFAOYSA-N
MW277.28 g/mol
LogP-1.70
Rot. Bonds2

About N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354422) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354422
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN1C(=O)CC(NC(=O)C2Cc3nc[nH]c3CN2)C1=O
InChIInChI=1S/C12H15N5O3/c1-17-10(18)3-8(12(17)20)16-11(19)7-2-6-9(4-13-7)15-5-14-6/h5,7-8,13H,2-4H2,1H3,(H,14,15)(H,16,19)
InChIKeyWJLZTKOLWKYCLW-UHFFFAOYSA-N
XLogP-1.70
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354422) is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CN1C(=O)CC(NC(=O)C2Cc3nc[nH]c3CN2)C1=O.
What is the InChIKey of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WJLZTKOLWKYCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-17-10(18)3-8(12(17)20)16-11(19)7-2-6-9(4-13-7)15-5-14-6/h5,7-8,13H,2-4H2,1H3,(H,14,15)(H,16,19).
What are the key properties of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).