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

C19H17N5O3 — CID 59824837

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c1
InChIInChI=1S/C19H17N5O3/c1-24(2)19(26)16(25)13-5-11(7-20-8-13)12-6-14-15(18-21-3-4-27-18)10-23-17(14)22-9-12/h3-10,16,25H,1-2H3,(H,22,23)
InChIKeyKNYRDAWZPQNULL-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.40
Rot. Bonds4

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

2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59824837) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59824837
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c1
InChIInChI=1S/C19H17N5O3/c1-24(2)19(26)16(25)13-5-11(7-20-8-13)12-6-14-15(18-21-3-4-27-18)10-23-17(14)22-9-12/h3-10,16,25H,1-2H3,(H,22,23)
InChIKeyKNYRDAWZPQNULL-UHFFFAOYSA-N
XLogP2.40
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59824837) is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is KNYRDAWZPQNULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-24(2)19(26)16(25)13-5-11(7-20-8-13)12-6-14-15(18-21-3-4-27-18)10-23-17(14)22-9-12/h3-10,16,25H,1-2H3,(H,22,23).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59824837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).