N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide — IUPAC name, SMILES, InChIKey & properties

Name: N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide

N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (PubChem CID 164957780) has the molecular formula C110H122N18O11 and a molecular weight of 1872.30 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name	N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
PubChem CID	164957780
Molecular Formula	C110H122N18O11
Molecular Weight	1872.30 g/mol
Exact Mass	1870.95
IUPAC Name	N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
SMILES	CN(C)C(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COCCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4[C@H](C)CCC[C@@H]4C)cnc32)cc1
InChI	InChI=1S/C23H26N4O3.C22H24N4O2.2C22H25N3O2.C21H22N4O2/c1-30-14-10-24-22(28)17-5-7-20(8-6-17)27-13-9-18-15-19(16-25-21(18)27)23(29)26-11-3-2-4-12-26;1-24(2)21(27)16-6-8-19(9-7-16)26-13-10-17-14-18(15-23-20(17)26)22(28)25-11-4-3-5-12-25;1-15-10-16(2)14-24(13-15)22(26)18-11-17-8-9-25(21(17)23-12-18)19-4-6-20(27-3)7-5-19;1-15-5-4-6-16(2)25(15)22(26)18-13-17-11-12-24(21(17)23-14-18)19-7-9-20(27-3)10-8-19;1-22-20(26)15-5-7-18(8-6-15)25-12-9-16-13-17(14-23-19(16)25)21(27)24-10-3-2-4-11-24/h5-9,13,15-16H,2-4,10-12,14H2,1H3,(H,24,28);6-10,13-15H,3-5,11-12H2,1-2H3;4-9,11-12,15-16H,10,13-14H2,1-3H3;7-16H,4-6H2,1-3H3;5-9,12-14H,2-4,10-11H2,1H3,(H,22,26)/t;;2*15-,16+;
InChIKey	BKHWTDPTWPAADS-OMWFBPMSSA-N
XLogP	17.98
TPSA	296.85 Å²
H-Bond Donors	2
H-Bond Acceptors	21
Rotatable Bonds	18
Heavy Atoms	139
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.30
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

The IUPAC name of N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (CID 164957780) is N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.

What is the SMILES notation for N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

The canonical SMILES for N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is CN(C)C(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COCCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4[C@H](C)CCC[C@@H]4C)cnc32)cc1.

What is the InChIKey of N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

The InChIKey is BKHWTDPTWPAADS-OMWFBPMSSA-N. The full InChI is InChI=1S/C23H26N4O3.C22H24N4O2.2C22H25N3O2.C21H22N4O2/c1-30-14-10-24-22(28)17-5-7-20(8-6-17)27-13-9-18-15-19(16-25-21(18)27)23(29)26-11-3-2-4-12-26;1-24(2)21(27)16-6-8-19(9-7-16)26-13-10-17-14-18(15-23-20(17)26)22(28)25-11-4-3-5-12-25;1-15-10-16(2)14-24(13-15)22(26)18-11-17-8-9-25(21(17)23-12-18)19-4-6-20(27-3)7-5-19;1-15-5-4-6-16(2)25(15)22(26)18-13-17-11-12-24(21(17)23-14-18)19-7-9-20(27-3)10-8-19;1-22-20(26)15-5-7-18(8-6-15)25-12-9-16-13-17(14-23-19(16)25)21(27)24-10-3-2-4-11-24/h5-9,13,15-16H,2-4,10-12,14H2,1H3,(H,24,28);6-10,13-15H,3-5,11-12H2,1-2H3;4-9,11-12,15-16H,10,13-14H2,1-3H3;7-16H,4-6H2,1-3H3;5-9,12-14H,2-4,10-11H2,1H3,(H,22,26)/t;;2*15-,16+;.

What are the key properties of N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

Where does this data come from?

All data for N,N-dimethyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 164957780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).