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

C11H18N4O2 — CID 104551687

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(CO)N(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H18N4O2/c1-7(5-16)15(2)11(17)9-3-8-10(4-12-9)14-6-13-8/h6-7,9,12,16H,3-5H2,1-2H3,(H,13,14)
InChIKeyILPOKYURPJFSPV-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.74
Rot. Bonds3

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

N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 104551687) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID104551687
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(CO)N(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H18N4O2/c1-7(5-16)15(2)11(17)9-3-8-10(4-12-9)14-6-13-8/h6-7,9,12,16H,3-5H2,1-2H3,(H,13,14)
InChIKeyILPOKYURPJFSPV-UHFFFAOYSA-N
XLogP-0.74
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 104551687) is N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CC(CO)N(C)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is ILPOKYURPJFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(5-16)15(2)11(17)9-3-8-10(4-12-9)14-6-13-8/h6-7,9,12,16H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 104551687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).