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

C13H15N3O2 — CID 166268739

IUPACN-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC1(O)CC(NC(=O)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C13H15N3O2/c1-13(18)6-8(7-13)16-12(17)10-3-5-15-11-9(10)2-4-14-11/h2-5,8,18H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyJPWQMDGZVXJCFL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.21
Rot. Bonds2

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

N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 166268739) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID166268739
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC1(O)CC(NC(=O)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C13H15N3O2/c1-13(18)6-8(7-13)16-12(17)10-3-5-15-11-9(10)2-4-14-11/h2-5,8,18H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyJPWQMDGZVXJCFL-UHFFFAOYSA-N
XLogP1.21
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-methylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166270354
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166354780
N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 20784555
4-(azetidin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)-1,6-naphthyridine-3-carboxamide
CID 153484763
N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166321044
N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 163228892
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268676
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268751
N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 167848195
6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridazine-5-carboxamide
CID 23566951
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 166268739) is N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is CC1(O)CC(NC(=O)c2ccnc3[nH]ccc23)C1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is JPWQMDGZVXJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(18)6-8(7-13)16-12(17)10-3-5-15-11-9(10)2-4-14-11/h2-5,8,18H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 166268739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).