3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide

C21H24N4O — CID 10926112

IUPAC3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1
InChIInChI=1S/C21H24N4O/c1-14-4-3-5-16(12-14)21(26)24-19-7-6-18-20(23-19)17(13-22-18)15-8-10-25(2)11-9-15/h3-7,12-13,15,22H,8-11H2,1-2H3,(H,23,24,26)
InChIKeyJZEMGYDWCXCAQQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.93
Rot. Bonds3

About 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide

3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (PubChem CID 10926112) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
PubChem CID10926112
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1
InChIInChI=1S/C21H24N4O/c1-14-4-3-5-16(12-14)21(26)24-19-7-6-18-20(23-19)17(13-22-18)15-8-10-25(2)11-9-15/h3-7,12-13,15,22H,8-11H2,1-2H3,(H,23,24,26)
InChIKeyJZEMGYDWCXCAQQ-UHFFFAOYSA-N
XLogP3.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (CID 10926112) is 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1.
What is the InChIKey of 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The InChIKey is JZEMGYDWCXCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-4-3-5-16(12-14)21(26)24-19-7-6-18-20(23-19)17(13-22-18)15-8-10-25(2)11-9-15/h3-7,12-13,15,22H,8-11H2,1-2H3,(H,23,24,26).
What are the key properties of 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 10926112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).