2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide

C17H18N4O — CID 56887929

IUPAC2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(-c2cc(N)nc3[nH]ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-17(2,16(19)22)11-5-3-10(4-6-11)13-9-14(18)21-15-12(13)7-8-20-15/h3-9H,1-2H3,(H2,19,22)(H3,18,20,21)
InChIKeyLEFFFKRPTMMAOM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.58
Rot. Bonds3

About 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide

2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide (PubChem CID 56887929) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide
PubChem CID56887929
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(-c2cc(N)nc3[nH]ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-17(2,16(19)22)11-5-3-10(4-6-11)13-9-14(18)21-15-12(13)7-8-20-15/h3-9H,1-2H3,(H2,19,22)(H3,18,20,21)
InChIKeyLEFFFKRPTMMAOM-UHFFFAOYSA-N
XLogP2.58
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide (CID 56887929) is 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide is CC(C)(C(N)=O)c1ccc(-c2cc(N)nc3[nH]ccc23)cc1.
What is the InChIKey of 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide?
The InChIKey is LEFFFKRPTMMAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2,16(19)22)11-5-3-10(4-6-11)13-9-14(18)21-15-12(13)7-8-20-15/h3-9H,1-2H3,(H2,19,22)(H3,18,20,21).
What are the key properties of 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide?
2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide has a molecular weight of 294.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 56887929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).