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

C22H27N5O — CID 155757139

IUPAC4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-23-22(28)19-14-26-21-18(7-10-24-21)20(19)25-13-16-8-11-27(12-9-16)15-17-5-3-2-4-6-17/h2-7,10,14,16H,8-9,11-13,15H2,1H3,(H,23,28)(H2,24,25,26)
InChIKeyMBQFYEVVVQNQLY-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.25
Rot. Bonds6

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

4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155757139) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155757139
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-23-22(28)19-14-26-21-18(7-10-24-21)20(19)25-13-16-8-11-27(12-9-16)15-17-5-3-2-4-6-17/h2-7,10,14,16H,8-9,11-13,15H2,1H3,(H,23,28)(H2,24,25,26)
InChIKeyMBQFYEVVVQNQLY-UHFFFAOYSA-N
XLogP3.25
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.25
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)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155757139) is 4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is MBQFYEVVVQNQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-23-22(28)19-14-26-21-18(7-10-24-21)20(19)25-13-16-8-11-27(12-9-16)15-17-5-3-2-4-6-17/h2-7,10,14,16H,8-9,11-13,15H2,1H3,(H,23,28)(H2,24,25,26).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-benzylpiperidin-4-yl)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.25, 6 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)methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155757139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).