4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide

C22H28N4O — CID 156811410

IUPAC4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide
SMILESCNCC(C)CC(C)Cc1cnc2c(ccn2-c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H28N4O/c1-15(10-16(2)13-24-3)11-17-12-19-8-9-26(22(19)25-14-17)20-6-4-18(5-7-20)21(23)27/h4-9,12,14-16,24H,10-11,13H2,1-3H3,(H2,23,27)
InChIKeyWZDUJQPEJLSYEN-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.55
Rot. Bonds8

About 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide

4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide (PubChem CID 156811410) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide
PubChem CID156811410
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide
SMILESCNCC(C)CC(C)Cc1cnc2c(ccn2-c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H28N4O/c1-15(10-16(2)13-24-3)11-17-12-19-8-9-26(22(19)25-14-17)20-6-4-18(5-7-20)21(23)27/h4-9,12,14-16,24H,10-11,13H2,1-3H3,(H2,23,27)
InChIKeyWZDUJQPEJLSYEN-UHFFFAOYSA-N
XLogP3.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The IUPAC name of 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide (CID 156811410) is 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide.
What is the SMILES notation for 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The canonical SMILES for 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide is CNCC(C)CC(C)Cc1cnc2c(ccn2-c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The InChIKey is WZDUJQPEJLSYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-15(10-16(2)13-24-3)11-17-12-19-8-9-26(22(19)25-14-17)20-6-4-18(5-7-20)21(23)27/h4-9,12,14-16,24H,10-11,13H2,1-3H3,(H2,23,27).
What are the key properties of 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide?
4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 156811410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).