N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C12H15N3O2 — CID 20784555

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C12H15N3O2/c1-12(2,7-16)15-11(17)9-4-6-14-10-8(9)3-5-13-10/h3-6,16H,7H2,1-2H3,(H,13,14)(H,15,17)
InChIKeySGQTTZPEJSVJNN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.06
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 20784555) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID20784555
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C12H15N3O2/c1-12(2,7-16)15-11(17)9-4-6-14-10-8(9)3-5-13-10/h3-6,16H,7H2,1-2H3,(H,13,14)(H,15,17)
InChIKeySGQTTZPEJSVJNN-UHFFFAOYSA-N
XLogP1.06
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 20784555) is N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is CC(C)(CO)NC(=O)c1ccnc2[nH]ccc12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is SGQTTZPEJSVJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,7-16)15-11(17)9-4-6-14-10-8(9)3-5-13-10/h3-6,16H,7H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 20784555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).