N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C20H17N5O — CID 121411862

IUPACN-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C)n2)ccn1
InChIInChI=1S/C20H17N5O/c1-12-5-3-6-15(23-12)18-19(25-16-7-4-9-22-20(16)18)14-8-10-21-17(11-14)24-13(2)26/h3-11,25H,1-2H3,(H,21,24,26)
InChIKeyXPASUDUUTHMDBC-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.95
Rot. Bonds3

About N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411862) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121411862
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C)n2)ccn1
InChIInChI=1S/C20H17N5O/c1-12-5-3-6-15(23-12)18-19(25-16-7-4-9-22-20(16)18)14-8-10-21-17(11-14)24-13(2)26/h3-11,25H,1-2H3,(H,21,24,26)
InChIKeyXPASUDUUTHMDBC-UHFFFAOYSA-N
XLogP3.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411862) is N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C)n2)ccn1.
What is the InChIKey of N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is XPASUDUUTHMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-5-3-6-15(23-12)18-19(25-16-7-4-9-22-20(16)18)14-8-10-21-17(11-14)24-13(2)26/h3-11,25H,1-2H3,(H,21,24,26).
What are the key properties of N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).