2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide

C14H21N3O — CID 175557195

IUPAC2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide
SMILESCC(C)c1[nH]c2ncccc2c1C(C)C.NC=O
InChIInChI=1S/C13H18N2.CH3NO/c1-8(2)11-10-6-5-7-14-13(10)15-12(11)9(3)4;2-1-3/h5-9H,1-4H3,(H,14,15);1H,(H2,2,3)
InChIKeyGCEWLZJRKSUJCB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.91
Rot. Bonds2

About 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide

2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide (PubChem CID 175557195) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide
PubChem CID175557195
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide
SMILESCC(C)c1[nH]c2ncccc2c1C(C)C.NC=O
InChIInChI=1S/C13H18N2.CH3NO/c1-8(2)11-10-6-5-7-14-13(10)15-12(11)9(3)4;2-1-3/h5-9H,1-4H3,(H,14,15);1H,(H2,2,3)
InChIKeyGCEWLZJRKSUJCB-UHFFFAOYSA-N
XLogP2.91
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84661488
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84672243
5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole
CID 172571034
2,3-di(propan-2-yl)-1H-indole
CID 15398122
1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 95857721
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84680375
2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 167028664
3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane
CID 177187823
2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 175660865
2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 58087002
2,3-dimethylpyridine;formamide;hydrate
CID 175110807
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 95853365

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide?
The IUPAC name of 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide (CID 175557195) is 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide.
What is the SMILES notation for 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide?
The canonical SMILES for 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide is CC(C)c1[nH]c2ncccc2c1C(C)C.NC=O.
What is the InChIKey of 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide?
The InChIKey is GCEWLZJRKSUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.CH3NO/c1-8(2)11-10-6-5-7-14-13(10)15-12(11)9(3)4;2-1-3/h5-9H,1-4H3,(H,14,15);1H,(H2,2,3).
What are the key properties of 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide?
2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide has a molecular weight of 247.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide is sourced from PubChem (CID 175557195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).