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

C18H19ClN4O — CID 153307444

IUPAC2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
SMILESCCc1c(Cl)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C18H19ClN4O/c1-4-12-13-8-11(9-21-17(13)22-16(12)19)10-5-6-15(20)14(7-10)18(24)23(2)3/h5-9H,4,20H2,1-3H3,(H,21,22)
InChIKeyPTIWUIAAGUMGEC-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.73
Rot. Bonds3

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

2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide (PubChem CID 153307444) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
PubChem CID153307444
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
SMILESCCc1c(Cl)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C18H19ClN4O/c1-4-12-13-8-11(9-21-17(13)22-16(12)19)10-5-6-15(20)14(7-10)18(24)23(2)3/h5-9H,4,20H2,1-3H3,(H,21,22)
InChIKeyPTIWUIAAGUMGEC-UHFFFAOYSA-N
XLogP3.73
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.73
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-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The IUPAC name of 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide (CID 153307444) is 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide is CCc1c(Cl)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The InChIKey is PTIWUIAAGUMGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-4-12-13-8-11(9-21-17(13)22-16(12)19)10-5-6-15(20)14(7-10)18(24)23(2)3/h5-9H,4,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide has a molecular weight of 342.83 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 153307444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).