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

C20H23N5O — CID 67277266

IUPAC4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c21-19(26)17-11-23-20-16(8-9-22-20)18(17)24-15-7-4-10-25(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H2,21,26)(H2,22,23,24)/t15-/m1/s1
InChIKeyOCICGYHJKFTWDX-OAHLLOKOSA-N
MW349.44 g/mol
LogP2.74
Rot. Bonds5

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

4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67277266) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67277266
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c21-19(26)17-11-23-20-16(8-9-22-20)18(17)24-15-7-4-10-25(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H2,21,26)(H2,22,23,24)/t15-/m1/s1
InChIKeyOCICGYHJKFTWDX-OAHLLOKOSA-N
XLogP2.74
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67277266) is 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is OCICGYHJKFTWDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O/c21-19(26)17-11-23-20-16(8-9-22-20)18(17)24-15-7-4-10-25(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H2,21,26)(H2,22,23,24)/t15-/m1/s1.
What are the key properties of 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67277266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).