2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide

C20H24N4O — CID 166629908

IUPAC2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
SMILESCCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(CC)c12
InChIInChI=1S/C20H24N4O/c1-5-12-10-22-19-18(12)14(6-2)16(11-23-19)13-7-8-17(21)15(9-13)20(25)24(3)4/h7-11H,5-6,21H2,1-4H3,(H,22,23)
InChIKeyFJVYXMUBCZZWFG-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.64
Rot. Bonds4

About 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide

2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide (PubChem CID 166629908) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
PubChem CID166629908
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
SMILESCCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(CC)c12
InChIInChI=1S/C20H24N4O/c1-5-12-10-22-19-18(12)14(6-2)16(11-23-19)13-7-8-17(21)15(9-13)20(25)24(3)4/h7-11H,5-6,21H2,1-4H3,(H,22,23)
InChIKeyFJVYXMUBCZZWFG-UHFFFAOYSA-N
XLogP3.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The IUPAC name of 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide (CID 166629908) is 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide is CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(CC)c12.
What is the InChIKey of 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The InChIKey is FJVYXMUBCZZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-5-12-10-22-19-18(12)14(6-2)16(11-23-19)13-7-8-17(21)15(9-13)20(25)24(3)4/h7-11H,5-6,21H2,1-4H3,(H,22,23).
What are the key properties of 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-diethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 166629908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).