2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide

C21H19N5O2 — CID 59824883

IUPAC2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C21H19N5O2/c1-26(2)21(28)19(27)16-7-14(9-23-10-16)15-8-17-18(12-25-20(17)24-11-15)13-3-5-22-6-4-13/h3-12,19,27H,1-2H3,(H,24,25)
InChIKeyOXMSTPDSWDLPQF-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.81
Rot. Bonds4

About 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide (PubChem CID 59824883) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide
PubChem CID59824883
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C21H19N5O2/c1-26(2)21(28)19(27)16-7-14(9-23-10-16)15-8-17-18(12-25-20(17)24-11-15)13-3-5-22-6-4-13/h3-12,19,27H,1-2H3,(H,24,25)
InChIKeyOXMSTPDSWDLPQF-UHFFFAOYSA-N
XLogP2.81
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide (CID 59824883) is 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide?
The InChIKey is OXMSTPDSWDLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-26(2)21(28)19(27)16-7-14(9-23-10-16)15-8-17-18(12-25-20(17)24-11-15)13-3-5-22-6-4-13/h3-12,19,27H,1-2H3,(H,24,25).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 59824883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).