N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C11H18N4O3S — CID 79353971

IUPACN-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)4-2-3-12-11(16)9-5-8-10(6-13-9)15-7-14-8/h7,9,13H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyQFFZNLWQTLDIHV-UHFFFAOYSA-N
MW286.36 g/mol
LogP-1.03
Rot. Bonds5

About N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79353971) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79353971
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)4-2-3-12-11(16)9-5-8-10(6-13-9)15-7-14-8/h7,9,13H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyQFFZNLWQTLDIHV-UHFFFAOYSA-N
XLogP-1.03
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79353971) is N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CS(=O)(=O)CCCNC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is QFFZNLWQTLDIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(17,18)4-2-3-12-11(16)9-5-8-10(6-13-9)15-7-14-8/h7,9,13H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79353971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).