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

C11H18N4O2 — CID 82723572

IUPACN-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)ONC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-15-10(16)8-4-7-9(5-12-8)14-6-13-7/h6,8,12H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMVVWCNDAQQQISF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.27
Rot. Bonds2

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

N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 82723572) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID82723572
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)ONC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-15-10(16)8-4-7-9(5-12-8)14-6-13-7/h6,8,12H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMVVWCNDAQQQISF-UHFFFAOYSA-N
XLogP0.27
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 82723572) is N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CC(C)(C)ONC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is MVVWCNDAQQQISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)17-15-10(16)8-4-7-9(5-12-8)14-6-13-7/h6,8,12H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 82723572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).