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

C21H24N4O — CID 11035452

IUPAC2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C21H24N4O/c1-14-5-3-4-6-16(14)21(26)24-19-8-7-18-20(23-19)17(13-22-18)15-9-11-25(2)12-10-15/h3-8,13,15,22H,9-12H2,1-2H3,(H,23,24,26)
InChIKeyWSZSOPNGNAEERM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.93
Rot. Bonds3

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

2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (PubChem CID 11035452) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
PubChem CID11035452
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C21H24N4O/c1-14-5-3-4-6-16(14)21(26)24-19-8-7-18-20(23-19)17(13-22-18)15-9-11-25(2)12-10-15/h3-8,13,15,22H,9-12H2,1-2H3,(H,23,24,26)
InChIKeyWSZSOPNGNAEERM-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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Related Compounds

4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601454
3,4-difluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601483
1-ethyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 11808793
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide
CID 10925076
1-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-prop-2-enylurea
CID 19601509
N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
CID 18969225
4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 10959868
4-methoxybenzoic acid;1-(2-methylphenyl)-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 19601513
(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide
CID 19601566
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide
CID 11760896
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (CID 11035452) is 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is Cc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1.
What is the InChIKey of 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The InChIKey is WSZSOPNGNAEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-5-3-4-6-16(14)21(26)24-19-8-7-18-20(23-19)17(13-22-18)15-9-11-25(2)12-10-15/h3-8,13,15,22H,9-12H2,1-2H3,(H,23,24,26).
What are the key properties of 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
2-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 2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 11035452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).