N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide

C21H25N5O — CID 53493121

IUPACN-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc3c(C4CCN(C)CC4)c[nH]c3n2)c1
InChIInChI=1S/C21H25N5O/c1-14(27)23-16-4-3-5-17(12-16)24-20-7-6-18-19(13-22-21(18)25-20)15-8-10-26(2)11-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,27)(H2,22,24,25)
InChIKeyXLVKUVMGMNHPRD-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.07
Rot. Bonds4

About N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide

N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide (PubChem CID 53493121) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide
PubChem CID53493121
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc3c(C4CCN(C)CC4)c[nH]c3n2)c1
InChIInChI=1S/C21H25N5O/c1-14(27)23-16-4-3-5-17(12-16)24-20-7-6-18-19(13-22-21(18)25-20)15-8-10-26(2)11-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,27)(H2,22,24,25)
InChIKeyXLVKUVMGMNHPRD-UHFFFAOYSA-N
XLogP4.07
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide (CID 53493121) is N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ccc3c(C4CCN(C)CC4)c[nH]c3n2)c1.
What is the InChIKey of N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide?
The InChIKey is XLVKUVMGMNHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(27)23-16-4-3-5-17(12-16)24-20-7-6-18-19(13-22-21(18)25-20)15-8-10-26(2)11-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,27)(H2,22,24,25).
What are the key properties of N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide?
N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide has a molecular weight of 363.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53493121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).