4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C21H25N5O — CID 142753445

IUPAC4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-22-21(27)18-13-24-20-17(7-10-23-20)19(18)25-16-8-11-26(12-9-16)14-15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,22,27)(H2,23,24,25)
InChIKeyGHEPXWWYKLYEIC-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.00
Rot. Bonds5

About 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142753445) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142753445
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-22-21(27)18-13-24-20-17(7-10-23-20)19(18)25-16-8-11-26(12-9-16)14-15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,22,27)(H2,23,24,25)
InChIKeyGHEPXWWYKLYEIC-UHFFFAOYSA-N
XLogP3.00
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142753445) is 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is GHEPXWWYKLYEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-22-21(27)18-13-24-20-17(7-10-23-20)19(18)25-16-8-11-26(12-9-16)14-15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,22,27)(H2,23,24,25).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142753445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).