3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

C21H22N4O2 — CID 90420800

IUPAC3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccnc3[nH]c(C4=CCNCC4)cc23)c(OC)c1
InChIInChI=1S/C21H22N4O2/c1-22-21(26)14-3-4-16(19(11-14)27-2)15-7-10-24-20-17(15)12-18(25-20)13-5-8-23-9-6-13/h3-5,7,10-12,23H,6,8-9H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyJCCRIHYBBZRMHV-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.97
Rot. Bonds4

About 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (PubChem CID 90420800) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
PubChem CID90420800
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccnc3[nH]c(C4=CCNCC4)cc23)c(OC)c1
InChIInChI=1S/C21H22N4O2/c1-22-21(26)14-3-4-16(19(11-14)27-2)15-7-10-24-20-17(15)12-18(25-20)13-5-8-23-9-6-13/h3-5,7,10-12,23H,6,8-9H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyJCCRIHYBBZRMHV-UHFFFAOYSA-N
XLogP2.97
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (CID 90420800) is 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is CNC(=O)c1ccc(-c2ccnc3[nH]c(C4=CCNCC4)cc23)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The InChIKey is JCCRIHYBBZRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-22-21(26)14-3-4-16(19(11-14)27-2)15-7-10-24-20-17(15)12-18(25-20)13-5-8-23-9-6-13/h3-5,7,10-12,23H,6,8-9H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 90420800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).