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

C22H24N6O — CID 142753453

IUPAC4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C22H24N6O/c1-24-22(29)19-13-26-21-18(5-8-25-21)20(19)27-17-6-9-28(10-7-17)14-16-4-2-3-15(11-16)12-23/h2-5,8,11,13,17H,6-7,9-10,14H2,1H3,(H,24,29)(H2,25,26,27)
InChIKeyUPLIKEOLZDGENI-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.87
Rot. Bonds5

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

4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142753453) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142753453
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C22H24N6O/c1-24-22(29)19-13-26-21-18(5-8-25-21)20(19)27-17-6-9-28(10-7-17)14-16-4-2-3-15(11-16)12-23/h2-5,8,11,13,17H,6-7,9-10,14H2,1H3,(H,24,29)(H2,25,26,27)
InChIKeyUPLIKEOLZDGENI-UHFFFAOYSA-N
XLogP2.87
TPSA96.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-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-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142753453) is 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(C#N)c2)CC1.
What is the InChIKey of 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is UPLIKEOLZDGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-24-22(29)19-13-26-21-18(5-8-25-21)20(19)27-17-6-9-28(10-7-17)14-16-4-2-3-15(11-16)12-23/h2-5,8,11,13,17H,6-7,9-10,14H2,1H3,(H,24,29)(H2,25,26,27).
What are the key properties of 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142753453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).