N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide

C23H28N4O2 — CID 146333328

IUPACN-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)c1
InChIInChI=1S/C23H28N4O2/c1-16(28)26-13-17-4-3-5-18(12-17)19-14-27-22-21(19)20(6-9-25-22)29-15-23(2)7-10-24-11-8-23/h3-6,9,12,14,24H,7-8,10-11,13,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXVLBDPFKUSAXRB-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.63
Rot. Bonds6

About N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide

N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide (PubChem CID 146333328) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide
PubChem CID146333328
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)c1
InChIInChI=1S/C23H28N4O2/c1-16(28)26-13-17-4-3-5-18(12-17)19-14-27-22-21(19)20(6-9-25-22)29-15-23(2)7-10-24-11-8-23/h3-6,9,12,14,24H,7-8,10-11,13,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXVLBDPFKUSAXRB-UHFFFAOYSA-N
XLogP3.63
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

3-(4-ethyl-3-fluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine;thiohydroxylamine
CID 153397621
2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 146333347
3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333330
3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333366
methanol;1-[4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-N-methylsulfanylethanamine
CID 153397533
N-[[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]acetamide;1-(cyclobutylmethyl)azetidine;ethane
CID 156817229
4-[(4-methylpiperidin-4-yl)methoxy]-3-(1-methylsulfanylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 153397459
N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
CID 129142524
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
CID 153397598
3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333363
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide (CID 146333328) is N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)c1.
What is the InChIKey of N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide?
The InChIKey is XVLBDPFKUSAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(28)26-13-17-4-3-5-18(12-17)19-14-27-22-21(19)20(6-9-25-22)29-15-23(2)7-10-24-11-8-23/h3-6,9,12,14,24H,7-8,10-11,13,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide?
N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 146333328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).